1-(4-methoxyphenyl)-2-[[5-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-[[5-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-methoxyphenyl)-2-[[5-[1-(2-naphthylsulfonyl)pyrrolidin-2-yl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methoxyphenyl)-2-[[5-[1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[[5-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-methoxyphenyl)-2-[[5-[1-(2-naphthylsulfonyl)pyrrolidin-2-yl]-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C31H28N4O4S2 MolecularWeight: 584.70842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCN4S(=O)(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCN4S(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C31H28N4O4S2/c1-39-26-16-13-23(14-17-26)29(36)21-40-31-33-32-30(35(31)25-10-3-2-4-11-25)28-12-7-19-34(28)41(37,38)27-18-15-22-8-5-6-9-24(22)20-27/h2-6,8-11,13-18,20,28H,7,12,19,21H2,1H3