N-(3-chloranyl-4-methyl-phenyl)-3-[4-methyl-5-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-[4-methyl-5-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-[4-methyl-5-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-[4-methyl-5-[[2-(3-methylanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-[4-methyl-5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-[5-[[2-keto-2-(m-toluidino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C22H24ClN5O2S MolecularWeight: 457.97626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CCC(=O)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CCC(=O)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C22H24ClN5O2S/c1-14-5-4-6-16(11-14)25-21(30)13-31-22-27-26-19(28(22)3)9-10-20(29)24-17-8-7-15(2)18(23)12-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,24,29)(H,25,30)