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

Systemtic Name: 2-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide Openeye Name: 2-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: 2-(3-methoxy-4-nitro-1-pyrazolyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]propanamide IUPAC Name: 2-(3-methoxy-4-nitropyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]propanamide Traditional Name: 2-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]propionamide Formula: C20H19N5O6S MolecularWeight: 457.45976

Click to see the large picture

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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O6S/c1-12-4-6-16(7-5-12)32-17-9-14(8-15(10-17)24(27)28)21-19(26)13(2)23-11-18(25(29)30)20(22-23)31-3/h4-11,13H,1-3H3,(H,21,26)