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

Systemtic Name: N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-piperidinosulfonyl-benzamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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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)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

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