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

Systemtic Name: 4-[2-phenyl-1-(1,2,4-triazol-4-yl)propan-2-yl]benzenecarbonitrile Openeye Name: 4-[1-methyl-1-phenyl-2-(1,2,4-triazol-4-yl)ethyl]benzonitrile CAS Name: 4-[2-phenyl-1-(1,2,4-triazol-4-yl)propan-2-yl]benzonitrile IUPAC Name: 4-[2-phenyl-1-(1,2,4-triazol-4-yl)propan-2-yl]benzonitrile Traditional Name: 4-[1-methyl-1-phenyl-2-(1,2,4-triazol-4-yl)ethyl]benzonitrile Formula: C18H16N4 MolecularWeight: 288.34644

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NN=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(CN1C=NN=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H16N4/c1-18(12-22-13-20-21-14-22,16-5-3-2-4-6-16)17-9-7-15(11-19)8-10-17/h2-10,13-14H,12H2,1H3