2-[(2,4-dimethylphenyl)-(1H-1,2,4-triazol-5-yl)amino]ethanenitrile

Systemtic Name: 2-[(2,4-dimethylphenyl)-(1H-1,2,4-triazol-5-yl)amino]ethanenitrile Openeye Name: 2-[2,4-dimethyl-N-(1H-1,2,4-triazol-5-yl)anilino]acetonitrile CAS Name: 2-[2,4-dimethyl-N-(1H-1,2,4-triazol-5-yl)anilino]acetonitrile IUPAC Name: 2-[2,4-dimethyl-N-(1H-1,2,4-triazol-5-yl)anilino]acetonitrile Traditional Name: 2-[2,4-dimethyl-N-(1H-1,2,4-triazol-5-yl)anilino]acetonitrile Formula: C12H13N5 MolecularWeight: 227.26512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC#N)C2=NC=NN2)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC#N)C2=NC=NN2)C

InChI

InChI=1S/C12H13N5/c1-9-3-4-11(10(2)7-9)17(6-5-13)12-14-8-15-16-12/h3-4,7-8H,6H2,1-2H3,(H,14,15,16)