3-[1-[5-(4-methylphenyl)carbonyl-4-methylsulfanyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one

Systemtic Name: 3-[1-[5-(4-methylphenyl)carbonyl-4-methylsulfanyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Openeye Name: 3-[1-[5-(4-methylbenzoyl)-4-methylsulfanyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one CAS Name: 3-[1-[5-[(4-methylphenyl)-oxomethyl]-4-(methylthio)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one IUPAC Name: 3-[1-[5-(4-methylbenzoyl)-4-methylsulfanyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Traditional Name: 3-[1-[4-(methylthio)-5-p-toluoyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C=C(N2)C(C)C3=NNC(=O)C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C=C(N2)C(C)C3=NNC(=O)C=C3)SC

InChI

InChI=1S/C19H19N3O2S/c1-11-4-6-13(7-5-11)19(24)18-16(25-3)10-15(20-18)12(2)14-8-9-17(23)22-21-14/h4-10,12,20H,1-3H3,(H,22,23)