2-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile

Systemtic Name: 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Openeye Name: 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile CAS Name: 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile IUPAC Name: 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Traditional Name: 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)butyronitrile Formula: C20H19ClN4O MolecularWeight: 366.84406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(CN2C=NC=N2)(C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CCC(CN2C=NC=N2)(C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN4O/c1-26-19-8-2-16(3-9-19)10-11-20(12-22,13-25-15-23-14-24-25)17-4-6-18(21)7-5-17/h2-9,14-15H,10-11,13H2,1H3