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

Systemtic Name: 3-[4-methyl-5-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide Openeye Name: 3-[4-methyl-5-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide CAS Name: 3-[4-methyl-5-[[2-(4-methylanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]-N-phenylpropanamide IUPAC Name: 3-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenylpropanamide Traditional Name: 3-[5-[[2-keto-2-(p-toluidino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2S/c1-15-8-10-17(11-9-15)23-20(28)14-29-21-25-24-18(26(21)2)12-13-19(27)22-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,22,27)(H,23,28)