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

Systemtic Name: 3-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]anilino)propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)N(CCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)N(CCC(=O)N)C3=CC=CC=C3

InChI

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