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

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]butanamide Openeye Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]butanamide CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]butanamide IUPAC Name: 2-(5-methyl-3-nitropyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]butanamide Traditional Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]butyramide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)SC2=CC=C(C=C2)C)[N+](=O)[O-])N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)SC2=CC=C(C=C2)C)[N+](=O)[O-])N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N5O5S/c1-4-19(24-14(3)9-20(23-24)26(30)31)21(27)22-15-10-16(25(28)29)12-18(11-15)32-17-7-5-13(2)6-8-17/h5-12,19H,4H2,1-3H3,(H,22,27)