11-benzyl-5-[(3-phenylprop-2-en-1-yl)sulfanyl]-4-thia-2,6,7,11-tetraazatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5-trien-8-one

Compound number:
MolPort-039-070-465
IUPAC:
11-benzyl-5-[(3-phenylprop-2-en-1-yl)sulfanyl]-4-thia-2,6,7,11-tetraazatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5-trien-8-one
IUPAC traditional:
11-benzyl-5-[(3-phenylprop-2-en-1-yl)sulfanyl]-4-thia-2,6,7,11-tetraazatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5-trien-8-one
SMILES:
O=c1c2CN(Cc3ccccc3)CCc2nc2sc(SCC=Cc3ccccc3)nn12 |w:21.22|
InChI key:
OJYDMOZWDIRRPC-UHFFFAOYSA-N
Molecular formula:
C24H22N4OS2
Molecular weight: 446.59
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Compound Identifiers
Compound number: MolPort-039-070-465

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000015414242
ZINC000206135710
7-benzyl-2-(cinnamylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

InChI
InChI: 1S/C24H22N4OS2/c29-22-20-17-27(16-19-10-5-2-6-11-19)14-13-21(20)25-23-28(22)26-24(31-23)30-15-7-12-18-8-3-1-4-9-18/h1-12H,13-17H2
InChI key: OJYDMOZWDIRRPC-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C24H22N4OS2
Molecular weight: 446.59

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2019 MolPort, v3.23, release date 19-10-2019 17:00 (+0200). All rights reserved.
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