2,4-bis(azanyl)-5-[4-(phenylcarbonyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]thiophene-3-carbonitrile

Systemtic Name: 2,4-bis(azanyl)-5-[4-(phenylcarbonyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]thiophene-3-carbonitrile Openeye Name: 2,4-diamino-5-(4-benzoyl-5-thioxo-1H-1,2,4-triazol-3-yl)thiophene-3-carbonitrile CAS Name: 2,4-diamino-5-(4-benzoyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-thiophenecarbonitrile IUPAC Name: 2,4-diamino-5-(4-benzoyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)thiophene-3-carbonitrile Traditional Name: 2,4-diamino-5-(4-benzoyl-5-thioxo-1H-1,2,4-triazol-3-yl)thiophene-3-carbonitrile Formula: C14H10N6OS2 MolecularWeight: 342.3988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C(=NNC2=S)C3=C(C(=C(S3)N)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C(=NNC2=S)C3=C(C(=C(S3)N)C#N)N

InChI

InChI=1S/C14H10N6OS2/c15-6-8-9(16)10(23-11(8)17)12-18-19-14(22)20(12)13(21)7-4-2-1-3-5-7/h1-5H,16-17H2,(H,19,22)