N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-pyrrolidinosulfonyl-benzamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N5O3S2/c1-15-5-4-6-17(13-15)26-19(23-24-21(26)30)14-22-20(27)16-7-9-18(10-8-16)31(28,29)25-11-2-3-12-25/h4-10,13H,2-3,11-12,14H2,1H3,(H,22,27)(H,24,30)