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

Systemtic Name: 6-[4-phenyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-(3-benzylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,4-dien-1-one CAS Name: 6-[4-phenyl-3-(phenylmethylthio)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-(3-benzylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: 6-[3-(benzylthio)-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H17N3OS MolecularWeight: 359.44418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C3C=CC=CC3=O)N2C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C3C=CC=CC3=O)N2C4=CC=CC=C4

InChI

InChI=1S/C21H17N3OS/c25-19-14-8-7-13-18(19)20-22-23-21(24(20)17-11-5-2-6-12-17)26-15-16-9-3-1-4-10-16/h1-14,22H,15H2