1-(4-methylphenyl)-3-(2-prop-2-ynylsulfanylpyrimidin-4-yl)pyridazin-4-one

Systemtic Name: 1-(4-methylphenyl)-3-(2-prop-2-ynylsulfanylpyrimidin-4-yl)pyridazin-4-one Openeye Name: 3-(2-prop-2-ynylsulfanylpyrimidin-4-yl)-1-(p-tolyl)pyridazin-4-one CAS Name: 1-(4-methylphenyl)-3-[2-(prop-2-ynylthio)-4-pyrimidinyl]-4-pyridazinone IUPAC Name: 1-(4-methylphenyl)-3-(2-prop-2-ynylsulfanylpyrimidin-4-yl)pyridazin-4-one Traditional Name: 3-[2-(propargylthio)pyrimidin-4-yl]-1-(p-tolyl)pyridazin-4-one Formula: C18H14N4OS MolecularWeight: 334.39496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C3=NC(=NC=C3)SCC#C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C3=NC(=NC=C3)SCC#C

InChI

InChI=1S/C18H14N4OS/c1-3-12-24-18-19-10-8-15(20-18)17-16(23)9-11-22(21-17)14-6-4-13(2)5-7-14/h1,4-11H,12H2,2H3