4-[1-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-yl]benzenecarbonitrile

Systemtic Name: 4-[1-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-yl]benzenecarbonitrile Openeye Name: 4-[1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-yl)ethyl]benzonitrile CAS Name: 4-[1-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-yl]benzonitrile IUPAC Name: 4-[1-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-yl]benzonitrile Traditional Name: 4-[1-(4-chlorobenzyl)-2-(1,2,4-triazol-1-yl)ethyl]benzonitrile Formula: C18H15ClN4 MolecularWeight: 322.7915

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CN2C=NC=N2)C3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1CC(CN2C=NC=N2)C3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H15ClN4/c19-18-7-3-14(4-8-18)9-17(11-23-13-21-12-22-23)16-5-1-15(10-20)2-6-16/h1-8,12-13,17H,9,11H2