3-[[3-(3-chlorophenyl)sulfanyl-4-nitro-phenyl]methyl]-1H-pyridazin-6-one

Systemtic Name: 3-[[3-(3-chlorophenyl)sulfanyl-4-nitro-phenyl]methyl]-1H-pyridazin-6-one Openeye Name: 3-[[3-(3-chlorophenyl)sulfanyl-4-nitro-phenyl]methyl]-1H-pyridazin-6-one CAS Name: 3-[[3-[(3-chlorophenyl)thio]-4-nitrophenyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[[3-(3-chlorophenyl)sulfanyl-4-nitrophenyl]methyl]-1H-pyridazin-6-one Traditional Name: 3-[3-[(3-chlorophenyl)thio]-4-nitro-benzyl]-1H-pyridazin-6-one Formula: C17H12ClN3O3S MolecularWeight: 373.81348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)SC2=C(C=CC(=C2)CC3=NNC(=O)C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)SC2=C(C=CC(=C2)CC3=NNC(=O)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O3S/c18-12-2-1-3-14(10-12)25-16-9-11(4-6-15(16)21(23)24)8-13-5-7-17(22)20-19-13/h1-7,9-10H,8H2,(H,20,22)