N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1SC2=CC=C(C=C2)Cl)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1SC2=CC=C(C=C2)Cl)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

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