3-(2-chlorophenyl)-N-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]prop-2-enamide

Systemtic Name: 3-(2-chlorophenyl)-N-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]prop-2-enamide Openeye Name: 3-(2-chlorophenyl)-N-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]prop-2-enamide CAS Name: 3-(2-chlorophenyl)-N-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-2-propenamide IUPAC Name: 3-(2-chlorophenyl)-N-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]prop-2-enamide Traditional Name: 3-(2-chlorophenyl)-N-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]acrylamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C=CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H19ClN4O2S/c1-26-19(13-23-20(28)12-11-15-7-5-6-10-17(15)22)24-25-21(26)29-14-18(27)16-8-3-2-4-9-16/h2-12H,13-14H2,1H3,(H,23,28)