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

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-2-(3-methylpyrazol-1-yl)propanamide Openeye Name: 2-(3-methylpyrazol-1-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-2-(3-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)propanamide Traditional Name: 2-(3-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=CC(=N3)C

Isomeric SMILES

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

InChI

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