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

Systemtic Name: 3-(2-chlorophenyl)-N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]prop-2-enamide Openeye Name: 3-(2-chlorophenyl)-N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]prop-2-enamide CAS Name: 3-(2-chlorophenyl)-N-[[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-2-propenamide IUPAC Name: 3-(2-chlorophenyl)-N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]prop-2-enamide Traditional Name: 3-(2-chlorophenyl)-N-[[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]acrylamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C=CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H21ClN4O2S/c1-2-27-20(14-24-21(29)13-12-16-8-6-7-11-18(16)23)25-26-22(27)30-15-19(28)17-9-4-3-5-10-17/h3-13H,2,14-15H2,1H3,(H,24,29)