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

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]butanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]butanamide CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]butanamide IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]butanamide Traditional Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]butyramide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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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(=C(C(=N3)C)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O3S/c1-5-20(26-15(4)21(23)14(3)25-26)22(28)24-16-10-17(27(29)30)12-19(11-16)31-18-8-6-13(2)7-9-18/h6-12,20H,5H2,1-4H3,(H,24,28)