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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C)CNC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C)CNC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C22H25N5O2S/c1-4-27-19(13-23-21(29)17-10-7-8-15(2)12-17)25-26-22(27)30-14-20(28)24-18-11-6-5-9-16(18)3/h5-12H,4,13-14H2,1-3H3,(H,23,29)(H,24,28)