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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NN=C(N2C)CNC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

CC1CCCCC1NC(=O)CSC2=NN=C(N2C)CNC(=O)C=CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H28ClN5O2S/c1-15-7-3-6-10-18(15)25-21(30)14-31-22-27-26-19(28(22)2)13-24-20(29)12-11-16-8-4-5-9-17(16)23/h4-5,8-9,11-12,15,18H,3,6-7,10,13-14H2,1-2H3,(H,24,29)(H,25,30)