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

Systemtic Name: 2-(3-methyl-4-nitro-pyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide Openeye Name: 2-(3-methyl-4-nitro-pyrazol-1-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: 2-(3-methyl-4-nitro-1-pyrazolyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]propanamide IUPAC Name: 2-(3-methyl-4-nitropyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]propanamide Traditional Name: 2-(3-methyl-4-nitro-pyrazol-1-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]propionamide Formula: C20H19N5O5S MolecularWeight: 441.46036

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

InChI

InChI=1S/C20H19N5O5S/c1-12-4-6-17(7-5-12)31-18-9-15(8-16(10-18)24(27)28)21-20(26)14(3)23-11-19(25(29)30)13(2)22-23/h4-11,14H,1-3H3,(H,21,26)