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

Systemtic Name: 3-(2-chlorophenyl)-N-[[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]prop-2-enamide Openeye Name: 3-(2-chlorophenyl)-N-[[5-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]prop-2-enamide CAS Name: 3-(2-chlorophenyl)-N-[[5-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-propenamide IUPAC Name: 3-(2-chlorophenyl)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]prop-2-enamide Traditional Name: 3-(2-chlorophenyl)-N-[[5-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]acrylamide Formula: C22H28ClN5O2S MolecularWeight: 462.00802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)C=CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H28ClN5O2S/c1-2-28-19(14-24-20(29)13-12-16-8-6-7-11-18(16)23)26-27-22(28)31-15-21(30)25-17-9-4-3-5-10-17/h6-8,11-13,17H,2-5,9-10,14-15H2,1H3,(H,24,29)(H,25,30)