5,6-dimethyl-2-[2-[2-(2-methylphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5,6-dimethyl-2-[2-[2-(2-methylphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5,6-dimethyl-2-[2-[2-(2-methylbenzoyl)hydrazino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5,6-dimethyl-2-[[2-[[(2-methylphenyl)-oxomethyl]hydrazo]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 5,6-dimethyl-2-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(N'-o-toluoylhydrazino)ethyl]thio]-5,6-dimethyl-pyrimidin-4-olate Formula: C16H17N4O3S- MolecularWeight: 345.39618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=O)CSC2=NC(=C(C(=N2)[O-])C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=O)CSC2=NC(=C(C(=N2)[O-])C)C

InChI

InChI=1S/C16H18N4O3S/c1-9-6-4-5-7-12(9)15(23)20-19-13(21)8-24-16-17-11(3)10(2)14(22)18-16/h4-7H,8H2,1-3H3,(H,19,21)(H,20,23)(H,17,18,22)/p-1