2-(3-chlorophenyl)-4-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile

Systemtic Name: 2-(3-chlorophenyl)-4-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Openeye Name: 2-(3-chlorophenyl)-4-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile CAS Name: 2-(3-chlorophenyl)-4-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile IUPAC Name: 2-(3-chlorophenyl)-4-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Traditional Name: 2-(3-chlorophenyl)-4-phenyl-2-(1,2,4-triazol-1-ylmethyl)butyronitrile Formula: C19H17ClN4 MolecularWeight: 336.81808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CN2C=NC=N2)(C#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC(CN2C=NC=N2)(C#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H17ClN4/c20-18-8-4-7-17(11-18)19(12-21,13-24-15-22-14-23-24)10-9-16-5-2-1-3-6-16/h1-8,11,14-15H,9-10,13H2