2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-2-[[4-p-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C29H32N6O4S2 MolecularWeight: 592.73218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4)C5=CN=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4)C5=CN=CC=C5

InChI

InChI=1S/C29H32N6O4S2/c1-3-39-25-13-11-24(12-14-25)35-28(22-8-7-15-30-19-22)32-33-29(35)40-20-27(36)31-23-10-9-21(2)26(18-23)41(37,38)34-16-5-4-6-17-34/h7-15,18-19H,3-6,16-17,20H2,1-2H3,(H,31,36)