4-chloranyl-N-[1-[5-[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]benzamide

Systemtic Name: 4-chloranyl-N-[1-[5-[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]benzamide Openeye Name: 4-chloro-N-[2-hydroxy-1-[4-isobutyl-5-[1-methyl-2-(2-methylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 4-chloro-N-[2-hydroxy-1-[5-[[1-(2-methylanilino)-1-oxopropan-2-yl]thio]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 4-chloro-N-[2-hydroxy-1-[5-[1-(2-methylanilino)-1-oxopropan-2-yl]sulfanyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 4-chloro-N-[2-hydroxy-1-[4-isobutyl-5-[[2-keto-1-methyl-2-(o-toluidino)ethyl]thio]-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C25H30ClN5O3S MolecularWeight: 516.0554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2CC(C)C)C(CO)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2CC(C)C)C(CO)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H30ClN5O3S/c1-15(2)13-31-22(21(14-32)28-24(34)18-9-11-19(26)12-10-18)29-30-25(31)35-17(4)23(33)27-20-8-6-5-7-16(20)3/h5-12,15,17,21,32H,13-14H2,1-4H3,(H,27,33)(H,28,34)