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

Systemtic Name: 2-(4-chloranylpyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]butanamide Openeye Name: 2-(4-chloropyrazol-1-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]butanamide CAS Name: 2-(4-chloro-1-pyrazolyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]butanamide IUPAC Name: 2-(4-chloropyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]butanamide Traditional Name: 2-(4-chloropyrazol-1-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]butyramide Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O3S/c1-3-19(24-12-14(21)11-22-24)20(26)23-15-8-16(25(27)28)10-18(9-15)29-17-6-4-13(2)5-7-17/h4-12,19H,3H2,1-2H3,(H,23,26)