(E)-3-(4-chlorophenyl)-2-cyano-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-chlorophenyl)-2-cyano-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-2-cyano-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-2-cyano-N-(1H-1,2,4-triazol-5-yl)-2-propenamide IUPAC Name: (E)-3-(4-chlorophenyl)-2-cyano-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-2-cyano-N-(1H-1,2,4-triazol-5-yl)acrylamide Formula: C12H8ClN5O MolecularWeight: 273.67782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)NC2=NC=NN2)Cl

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C(=O)NC2=NC=NN2)Cl

InChI

InChI=1S/C12H8ClN5O/c13-10-3-1-8(2-4-10)5-9(6-14)11(19)17-12-15-7-16-18-12/h1-5,7H,(H2,15,16,17,18,19)/b9-5+