2-[2-(phenylsulfonyl)ethylsulfanyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-[2-(phenylsulfonyl)ethylsulfanyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-N-[[3-(1-pyrazolyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-(2-besylethylthio)-N-(3-pyrazol-1-ylbenzyl)nicotinamide Formula: C24H22N4O3S2 MolecularWeight: 478.58648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)NCC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)NCC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C24H22N4O3S2/c29-23(26-18-19-7-4-8-20(17-19)28-14-6-13-27-28)22-11-5-12-25-24(22)32-15-16-33(30,31)21-9-2-1-3-10-21/h1-14,17H,15-16,18H2,(H,26,29)