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

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[3-nitro-5-(p-tolylthio)phenyl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C20H19N5O5S MolecularWeight: 441.46036

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O5S/c1-3-19(23-12-16(11-21-23)25(29)30)20(26)22-14-8-15(24(27)28)10-18(9-14)31-17-6-4-13(2)5-7-17/h4-12,19H,3H2,1-2H3,(H,22,26)