4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-2-phenyl-butanenitrile

Systemtic Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-2-phenyl-butanenitrile Openeye Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-2-phenyl-butanenitrile CAS Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-3-oxo-2-phenylbutanenitrile IUPAC Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-2-phenylbutanenitrile Traditional Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-3-keto-2-phenyl-butyronitrile Formula: C24H18N4OS MolecularWeight: 410.49092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C(C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C(C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H18N4OS/c25-16-21(18-10-4-1-5-11-18)22(29)17-30-24-27-26-23(19-12-6-2-7-13-19)28(24)20-14-8-3-9-15-20/h1-15,21H,17H2