2-[4-(3-chlorophenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]ethanenitrile

Systemtic Name: 2-[4-(3-chlorophenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]ethanenitrile Openeye Name: 2-[4-(3-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile CAS Name: 2-[4-(3-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile IUPAC Name: 2-[4-(3-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile Traditional Name: 2-[4-(3-chlorophenyl)-5-keto-3-methyl-1,2,4-triazol-1-yl]acetonitrile Formula: C11H9ClN4O MolecularWeight: 248.66836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC(=CC=C2)Cl)CC#N

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC(=CC=C2)Cl)CC#N

InChI

InChI=1S/C11H9ClN4O/c1-8-14-15(6-5-13)11(17)16(8)10-4-2-3-9(12)7-10/h2-4,7H,6H2,1H3