2-(4-nitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)butanamide

Systemtic Name: 2-(4-nitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)butanamide Openeye Name: 2-(4-nitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)butanamide CAS Name: 2-(4-nitro-1-pyrazolyl)-N-[2-(phenylthio)phenyl]butanamide IUPAC Name: 2-(4-nitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)butanamide Traditional Name: 2-(4-nitropyrazol-1-yl)-N-[2-(phenylthio)phenyl]butyramide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S/c1-2-17(22-13-14(12-20-22)23(25)26)19(24)21-16-10-6-7-11-18(16)27-15-8-4-3-5-9-15/h3-13,17H,2H2,1H3,(H,21,24)