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

Systemtic Name: 6-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]-2-[(4-fluorobenzyl)thio]pyrimidin-4-olate Formula: C20H14FN4O2S2- MolecularWeight: 425.479163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CC3=CC(=NC(=N3)SCC4=CC=C(C=C4)F)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CC3=CC(=NC(=N3)SCC4=CC=C(C=C4)F)[O-]

InChI

InChI=1S/C20H15FN4O2S2/c21-13-7-5-12(6-8-13)11-28-19-22-14(9-17(26)24-19)10-18(27)25-20-23-15-3-1-2-4-16(15)29-20/h1-9H,10-11H2,(H,22,24,26)(H,23,25,27)/p-1