4-bromanyl-5-(4-methylphenyl)sulfanyl-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4-bromanyl-5-(4-methylphenyl)sulfanyl-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-bromo-5-(p-tolylsulfanyl)pyridazin-3-one CAS Name: 4-bromo-5-[(4-methylphenyl)thio]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-bromo-5-(4-methylphenyl)sulfanylpyridazin-3-one Traditional Name: 2-benzyl-4-bromo-5-(p-tolylthio)pyridazin-3-one Formula: C18H15BrN2OS MolecularWeight: 387.2935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C18H15BrN2OS/c1-13-7-9-15(10-8-13)23-16-11-20-21(18(22)17(16)19)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3