N-(5-tert-butyl-2-methoxy-phenyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC)C4=CN=CC=C4

InChI

InChI=1S/C27H29N5O2S/c1-18-9-6-7-11-22(18)32-25(19-10-8-14-28-16-19)30-31-26(32)35-17-24(33)29-21-15-20(27(2,3)4)12-13-23(21)34-5/h6-16H,17H2,1-5H3,(H,29,33)