N-(methylcarbamoyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(methylcarbamoyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(methylcarbamoyl)-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(methylcarbamoyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(methylcarbamoyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(methylcarbamoyl)-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H18N6O2S MolecularWeight: 382.43952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(=O)NC)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(=O)NC)C3=CC=NC=C3

InChI

InChI=1S/C18H18N6O2S/c1-12-5-3-4-6-14(12)24-16(13-7-9-20-10-8-13)22-23-18(24)27-11-15(25)21-17(26)19-2/h3-10H,11H2,1-2H3,(H2,19,21,25,26)