3-[[1,4-dimethyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]methyl]-1H-pyridazin-6-one

Systemtic Name: 3-[[1,4-dimethyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]methyl]-1H-pyridazin-6-one Openeye Name: 3-[[1,4-dimethyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]methyl]-1H-pyridazin-6-one CAS Name: 3-[[1,4-dimethyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-2-pyrrolyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[[1,4-dimethyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]methyl]-1H-pyridazin-6-one Traditional Name: 3-[[1,4-dimethyl-5-(4-methylthiobenzoyl)pyrrol-2-yl]methyl]-1H-pyridazin-6-one Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=C(C=C(N2C)CC3=NNC(=O)C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=C(C=C(N2C)CC3=NNC(=O)C=C3)C

InChI

InChI=1S/C19H19N3OS/c1-12-4-6-14(7-5-12)19(24)18-13(2)10-16(22(18)3)11-15-8-9-17(23)21-20-15/h4-10H,11H2,1-3H3,(H,21,23)