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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-6-keto-3-phenyl-pyrimidin-4-olate Formula: C19H13N4O3S2- MolecularWeight: 409.46152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=NC4=CC=CC=C4S3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=NC4=CC=CC=C4S3)[O-]

InChI

InChI=1S/C19H14N4O3S2/c24-15-10-17(26)23(12-6-2-1-3-7-12)19(22-15)27-11-16(25)21-18-20-13-8-4-5-9-14(13)28-18/h1-10,26H,11H2,(H,20,21,25)/p-1