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

Systemtic Name: 4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2,2-diphenyl-butanenitrile Openeye Name: 4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2,2-diphenyl-butanenitrile CAS Name: 4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-2,2-diphenylbutanenitrile IUPAC Name: 4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2,2-diphenylbutanenitrile Traditional Name: 4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-2,2-diphenyl-butyronitrile Formula: C32H28N4S MolecularWeight: 500.65652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C32H28N4S/c1-24-18-19-29(22-25(24)2)36-30(26-12-6-3-7-13-26)34-35-31(36)37-21-20-32(23-33,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-19,22H,20-21H2,1-2H3