5-cyano-2-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-2-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 5-cyano-2-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 5-cyano-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 5-cyano-2-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 5-cyano-2-[[2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C20H11N6O4S2- MolecularWeight: 463.46914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[O-])C#N

InChI

InChI=1S/C20H12N6O4S2/c21-9-13-17(11-4-2-1-3-5-11)24-19(25-18(13)28)31-10-16(27)23-20-22-14-7-6-12(26(29)30)8-15(14)32-20/h1-8H,10H2,(H,22,23,27)(H,24,25,28)/p-1