N-(4-phenylbutan-2-yl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-phenylbutan-2-yl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methyl-3-phenyl-propyl)acetamide CAS Name: N-(4-phenylbutan-2-yl)-2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-phenylbutan-2-yl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-methyl-3-phenyl-propyl)-2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C28H31N5OS MolecularWeight: 485.64364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(C)CCC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(C)CCC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C28H31N5OS/c1-20(2)24-13-7-8-14-25(24)33-27(23-12-9-17-29-18-23)31-32-28(33)35-19-26(34)30-21(3)15-16-22-10-5-4-6-11-22/h4-14,17-18,20-21H,15-16,19H2,1-3H3,(H,30,34)