3-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyrrolidinosulfonylphenyl)propionamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25N5O3S2/c1-17-7-2-3-10-20(17)27-16-23-25-22(27)31-14-11-21(28)24-18-8-6-9-19(15-18)32(29,30)26-12-4-5-13-26/h2-3,6-10,15-16H,4-5,11-14H2,1H3,(H,24,28)