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

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-2-phenyl-butanenitrile Openeye Name: 4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-2-phenyl-butanenitrile CAS Name: 4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]-3-oxo-2-phenylbutanenitrile IUPAC Name: 4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-2-phenylbutanenitrile Traditional Name: 4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]-3-keto-2-phenyl-butyronitrile Formula: C24H25ClN4OS MolecularWeight: 452.9995

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCC(=O)C(C#N)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCN1C(=NN=C1SCC(=O)C(C#N)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H25ClN4OS/c1-2-3-4-8-15-29-23(19-11-13-20(25)14-12-19)27-28-24(29)31-17-22(30)21(16-26)18-9-6-5-7-10-18/h5-7,9-14,21H,2-4,8,15,17H2,1H3