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

Systemtic Name: 3-(2-chlorophenyl)-N-[[4-methyl-5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]prop-2-enamide Openeye Name: N-[[5-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-(2-chlorophenyl)prop-2-enamide CAS Name: 3-(2-chlorophenyl)-N-[[4-methyl-5-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-propenamide IUPAC Name: N-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-(2-chlorophenyl)prop-2-enamide Traditional Name: N-[[5-[[2-(benzylamino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-(2-chlorophenyl)acrylamide Formula: C22H22ClN5O2S MolecularWeight: 455.96038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CNC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CNC(=O)C=CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H22ClN5O2S/c1-28-19(14-25-20(29)12-11-17-9-5-6-10-18(17)23)26-27-22(28)31-15-21(30)24-13-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H,24,30)(H,25,29)