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

Systemtic Name: 2-[4-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]benzenecarbonitrile Openeye Name: 2-[3-(4-chlorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propyl]benzonitrile CAS Name: 2-[4-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]benzonitrile IUPAC Name: 2-[4-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]benzonitrile Traditional Name: 2-[3-(4-chlorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propyl]benzonitrile Formula: C19H17ClN4 MolecularWeight: 336.81808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C(CCC2=CC=C(C=C2)Cl)CN3C=NC=N3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C(CCC2=CC=C(C=C2)Cl)CN3C=NC=N3

InChI

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