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

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-3-(4-methylpyrazol-1-yl)propanamide Openeye Name: 3-(4-methylpyrazol-1-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-3-(4-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-3-(4-methylpyrazol-1-yl)propanamide Traditional Name: 3-(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)CCN3C=C(C=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C=N3)C

InChI

InChI=1S/C20H20N4O3S/c1-14-3-5-18(6-4-14)28-19-10-16(9-17(11-19)24(26)27)22-20(25)7-8-23-13-15(2)12-21-23/h3-6,9-13H,7-8H2,1-2H3,(H,22,25)