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

Systemtic Name: 2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C22H25N5O3S2/c1-16-7-5-9-19(13-16)27-17(2)24-25-22(27)31-15-21(28)23-18-8-6-10-20(14-18)32(29,30)26-11-3-4-12-26/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,23,28)