N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[1-[(phenylthio)methyl]-4-pyrazolyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]propanamide Traditional Name: 3-besyl-N-[1-[(phenylthio)methyl]pyrazol-4-yl]propionamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCN2C=C(C=N2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)SCN2C=C(C=N2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3S2/c23-19(11-12-27(24,25)18-9-5-2-6-10-18)21-16-13-20-22(14-16)15-26-17-7-3-1-4-8-17/h1-10,13-14H,11-12,15H2,(H,21,23)