N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O3S/c1-2-17(23-12-14(11-21-23)24(26)27)19(25)22-16-5-3-4-6-18(16)28-15-9-7-13(20)8-10-15/h3-12,17H,2H2,1H3,(H,22,25)