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

Systemtic Name: 2-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C26H19N4O2S2- MolecularWeight: 483.58466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NC(=CC(=N4)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NC(=CC(=N4)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H20N4O2S2/c1-16-7-12-20-22(13-16)34-25(28-20)18-8-10-19(11-9-18)27-24(32)15-33-26-29-21(14-23(31)30-26)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,27,32)(H,29,30,31)/p-1