2-(4-nitrophenyl)sulfanyl-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]ethanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]ethanamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]acetamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)CSC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)CSC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O3S/c30-24(18-33-23-13-11-22(12-14-23)29(31)32)26-15-21-17-28(16-19-7-3-1-4-8-19)27-25(21)20-9-5-2-6-10-20/h1-14,17H,15-16,18H2,(H,26,30)