6-[4-azanyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-azanyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-(4-amino-3-benzylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,4-dien-1-one CAS Name: 6-[4-amino-3-(phenylmethylthio)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-(4-amino-3-benzylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-amino-3-(benzylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C15H14N4OS MolecularWeight: 298.36286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C3C=CC=CC3=O)N2N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C3C=CC=CC3=O)N2N

InChI

InChI=1S/C15H14N4OS/c16-19-14(12-8-4-5-9-13(12)20)17-18-15(19)21-10-11-6-2-1-3-7-11/h1-9,17H,10,16H2