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

Systemtic Name: 3-[4-methyl-5-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)propanamide Openeye Name: 3-[4-methyl-5-[2-(2-methylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(o-tolyl)propanamide CAS Name: 3-[4-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]-N-(2-methylphenyl)propanamide IUPAC Name: 3-[4-methyl-5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)propanamide Traditional Name: 3-[5-[[2-keto-2-(o-toluidino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-(o-tolyl)propionamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C22H25N5O2S/c1-15-8-4-6-10-17(15)23-20(28)13-12-19-25-26-22(27(19)3)30-14-21(29)24-18-11-7-5-9-16(18)2/h4-11H,12-14H2,1-3H3,(H,23,28)(H,24,29)