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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)ethanamide Openeye Name: N-(phenylcarbamoyl)-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[anilino(oxo)methyl]-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide Traditional Name: N-(phenylcarbamoyl)-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H20N6O2S MolecularWeight: 444.5089

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)NC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)NC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H20N6O2S/c1-16-7-9-19(10-8-16)29-21(17-11-13-24-14-12-17)27-28-23(29)32-15-20(30)26-22(31)25-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H2,25,26,30,31)