1-[3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]pyrazol-1-yl]ethanone

Systemtic Name: 1-[3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]pyrazol-1-yl]ethanone Openeye Name: 1-[3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]pyrazol-1-yl]ethanone CAS Name: 1-[3-[2-[(4-chlorophenyl)thio]-5-nitrophenyl]-1-pyrazolyl]ethanone IUPAC Name: 1-[3-[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]pyrazol-1-yl]ethanone Traditional Name: 1-[3-[2-[(4-chlorophenyl)thio]-5-nitro-phenyl]pyrazol-1-yl]ethanone Formula: C17H12ClN3O3S MolecularWeight: 373.81348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC(=N1)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)N1C=CC(=N1)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClN3O3S/c1-11(22)20-9-8-16(19-20)15-10-13(21(23)24)4-7-17(15)25-14-5-2-12(18)3-6-14/h2-10H,1H3