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

Systemtic Name: 3-[3,5-bis(chloranyl)-4-methyl-phenyl]-5-(phenylmethylsulfanyl)-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 5-benzylsulfanyl-3-(3,5-dichloro-4-methyl-phenyl)-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-(3,5-dichloro-4-methylphenyl)-5-(phenylmethylthio)-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 5-benzylsulfanyl-3-(3,5-dichloro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 5-(benzylthio)-3-(3,5-dichloro-4-methyl-phenyl)-4,5-dihydro-1H-pyridazin-6-one Formula: C18H16Cl2N2OS MolecularWeight: 379.30344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)C2=NNC(=O)C(C2)SCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1Cl)C2=NNC(=O)C(C2)SCC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H16Cl2N2OS/c1-11-14(19)7-13(8-15(11)20)16-9-17(18(23)22-21-16)24-10-12-5-3-2-4-6-12/h2-8,17H,9-10H2,1H3,(H,22,23)