2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]pyrimidin-4-olate Formula: C13H12N3O2S- MolecularWeight: 274.31828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C13H13N3O2S/c1-9-3-2-4-10(7-9)15-12(18)8-19-13-14-6-5-11(17)16-13/h2-7H,8H2,1H3,(H,15,18)(H,14,16,17)/p-1