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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-3-(o-tolyl)-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-3-(2-methylphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-3-(2-methylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-6-keto-3-(o-tolyl)pyrimidin-4-olate Formula: C20H15N4O3S2- MolecularWeight: 423.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=NC4=CC=CC=C4S3)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=NC4=CC=CC=C4S3)[O-]

InChI

InChI=1S/C20H16N4O3S2/c1-12-6-2-4-8-14(12)24-18(27)10-16(25)23-20(24)28-11-17(26)22-19-21-13-7-3-5-9-15(13)29-19/h2-10,27H,11H2,1H3,(H,21,22,26)/p-1