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

Systemtic Name: 2-[1-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-yl]benzenecarbonitrile Openeye Name: 2-[1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-yl)ethyl]benzonitrile CAS Name: 2-[1-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-yl]benzonitrile IUPAC Name: 2-[1-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-yl]benzonitrile Traditional Name: 2-[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=C(C(=C1)C#N)C(CC2=CC=C(C=C2)Cl)CN3C=NC=N3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C(CC2=CC=C(C=C2)Cl)CN3C=NC=N3

InChI

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