3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)propanamide

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)O

InChI

InChI=1S/C22H25N5O4S2/c1-15-5-4-6-16(13-15)21-24-25-22(32)27(21)12-9-20(29)23-18-14-17(7-8-19(18)28)33(30,31)26-10-2-3-11-26/h4-8,13-14,28H,2-3,9-12H2,1H3,(H,23,29)(H,25,32)