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

Systemtic Name: 4-[2-cyano-1-(1,2,4-triazol-4-yl)propan-2-yl]benzenecarbonitrile Openeye Name: 4-[1-cyano-1-methyl-2-(1,2,4-triazol-4-yl)ethyl]benzonitrile CAS Name: 4-[2-cyano-1-(1,2,4-triazol-4-yl)propan-2-yl]benzonitrile IUPAC Name: 4-[2-cyano-1-(1,2,4-triazol-4-yl)propan-2-yl]benzonitrile Traditional Name: 4-[1-cyano-1-methyl-2-(1,2,4-triazol-4-yl)ethyl]benzonitrile Formula: C13H11N5 MolecularWeight: 237.25994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5/c1-13(7-15,8-18-9-16-17-10-18)12-4-2-11(6-14)3-5-12/h2-5,9-10H,8H2,1H3