N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(3-methoxy-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)acetamide Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN4O4S/c1-27-18-15(23(25)26)10-22(21-18)11-17(24)20-14-4-2-3-5-16(14)28-13-8-6-12(19)7-9-13/h2-10H,11H2,1H3,(H,20,24)