2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H11N4O2S2- MolecularWeight: 331.39274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=NC3=CC=CC=C3S2)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=NC3=CC=CC=C3S2)[O-]

InChI

InChI=1S/C14H12N4O2S2/c1-8-6-11(19)17-13(15-8)21-7-12(20)18-14-16-9-4-2-3-5-10(9)22-14/h2-6H,7H2,1H3,(H,15,17,19)(H,16,18,20)/p-1