N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-2-(5-methylpyrazol-1-yl)ethanamide

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-2-(5-methylpyrazol-1-yl)ethanamide Openeye Name: 2-(5-methylpyrazol-1-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]acetamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-2-(5-methyl-1-pyrazolyl)acetamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-2-(5-methylpyrazol-1-yl)acetamide Traditional Name: 2-(5-methylpyrazol-1-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]acetamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C(=CC=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C(=CC=N3)C

InChI

InChI=1S/C19H18N4O3S/c1-13-3-5-17(6-4-13)27-18-10-15(9-16(11-18)23(25)26)21-19(24)12-22-14(2)7-8-20-22/h3-11H,12H2,1-2H3,(H,21,24)