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

Systemtic Name: 2-[[4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-piperidinosulfonyl-phenyl)acetamide Formula: C28H31N5O4S3 MolecularWeight: 597.77184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4)C5=CC=CS5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4)C5=CC=CS5

InChI

InChI=1S/C28H31N5O4S3/c1-19-9-12-23(37-3)22(16-19)33-27(24-8-7-15-38-24)30-31-28(33)39-18-26(34)29-21-11-10-20(2)25(17-21)40(35,36)32-13-5-4-6-14-32/h7-12,15-17H,4-6,13-14,18H2,1-3H3,(H,29,34)