2-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C15H16N3O2S- MolecularWeight: 302.37144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC=CC(=N2)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC=CC(=N2)[O-])C

InChI

InChI=1S/C15H17N3O2S/c1-3-11-6-4-5-10(2)14(11)17-13(20)9-21-15-16-8-7-12(19)18-15/h4-8H,3,9H2,1-2H3,(H,17,20)(H,16,18,19)/p-1