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

Systemtic Name: 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenoxyphenyl)ethanamide Openeye Name: 2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenoxyphenyl)acetamide CAS Name: 2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(3-phenoxyphenyl)acetamide IUPAC Name: 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenoxyphenyl)acetamide Traditional Name: 2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-phenoxyphenyl)acetamide Formula: C28H23N5O2S MolecularWeight: 493.57952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)OC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)OC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C28H23N5O2S/c1-20-9-5-6-15-25(20)33-27(21-10-8-16-29-18-21)31-32-28(33)36-19-26(34)30-22-11-7-14-24(17-22)35-23-12-3-2-4-13-23/h2-18H,19H2,1H3,(H,30,34)