2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C27H27N5O4S2 MolecularWeight: 549.66438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C27H27N5O4S2/c1-36-23-13-9-20(10-14-23)26-29-30-27(32(26)22-7-3-2-4-8-22)37-19-25(33)28-21-11-15-24(16-12-21)38(34,35)31-17-5-6-18-31/h2-4,7-16H,5-6,17-19H2,1H3,(H,28,33)