3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile

Systemtic Name: 3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 3-(1-cyano-1-methyl-ethyl)-5-(1,2,4-triazol-1-ylmethyl)benzonitrile CAS Name: 3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)benzonitrile IUPAC Name: 3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)benzonitrile Traditional Name: 3-(1-cyano-1-methyl-ethyl)-5-(1,2,4-triazol-1-ylmethyl)benzonitrile Formula: C14H13N5 MolecularWeight: 251.28652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C#N

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C#N

InChI

InChI=1S/C14H13N5/c1-14(2,8-16)13-4-11(6-15)3-12(5-13)7-19-10-17-9-18-19/h3-5,9-10H,7H2,1-2H3