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

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-2-(4-methylpyrazol-1-yl)propanamide Openeye Name: 2-(4-methylpyrazol-1-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-2-(4-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-2-(4-methylpyrazol-1-yl)propanamide Traditional Name: 2-(4-methylpyrazol-1-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)N3C=C(C=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)N3C=C(C=N3)C

InChI

InChI=1S/C20H20N4O3S/c1-13-4-6-18(7-5-13)28-19-9-16(8-17(10-19)24(26)27)22-20(25)15(3)23-12-14(2)11-21-23/h4-12,15H,1-3H3,(H,22,25)