2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[4-(1-piperidylsulfonyl)phenyl]-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-(4-piperidinosulfonylphenyl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C23H27N5O3S2 MolecularWeight: 485.62218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H27N5O3S2/c1-16-6-8-18(9-7-16)21-25-23(27-26-21)32-17(2)22(29)24-19-10-12-20(13-11-19)33(30,31)28-14-4-3-5-15-28/h6-13,17H,3-5,14-15H2,1-2H3,(H,24,29)(H,25,26,27)