3-[3,5-bis(chloranyl)-4-methyl-phenyl]-5-(4-nitrophenyl)sulfanyl-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[3,5-bis(chloranyl)-4-methyl-phenyl]-5-(4-nitrophenyl)sulfanyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-(3,5-dichloro-4-methyl-phenyl)-5-(4-nitrophenyl)sulfanyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-(3,5-dichloro-4-methylphenyl)-5-[(4-nitrophenyl)thio]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-(3,5-dichloro-4-methylphenyl)-5-(4-nitrophenyl)sulfanyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-(3,5-dichloro-4-methyl-phenyl)-5-[(4-nitrophenyl)thio]-4,5-dihydro-1H-pyridazin-6-one Formula: C17H13Cl2N3O3S MolecularWeight: 410.27442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)C2=NNC(=O)C(C2)SC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1Cl)C2=NNC(=O)C(C2)SC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H13Cl2N3O3S/c1-9-13(18)6-10(7-14(9)19)15-8-16(17(23)21-20-15)26-12-4-2-11(3-5-12)22(24)25/h2-7,16H,8H2,1H3,(H,21,23)