[azanyl-[(4-phenoxyphenyl)amino]methylidene]-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]azanium

Systemtic Name: [azanyl-[(4-phenoxyphenyl)amino]methylidene]-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]azanium Openeye Name: [amino-(4-phenoxyanilino)methylene]-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]ammonium CAS Name: [amino-(4-phenoxyanilino)methylidene]-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-1H-pyrimidin-2-yl]ammonium IUPAC Name: [amino-(4-phenoxyanilino)methylidene]-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]azanium Traditional Name: [amino-(4-phenoxyanilino)methylene]-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-1H-pyrimidin-2-yl]ammonium Formula: C25H21N6O2S2+ MolecularWeight: 501.60324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=[NH+]C3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=[NH+]C3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4)N

InChI

InChI=1S/C25H20N6O2S2/c26-23(27-16-10-12-19(13-11-16)33-18-6-2-1-3-7-18)31-24-28-17(14-22(32)30-24)15-34-25-29-20-8-4-5-9-21(20)35-25/h1-14H,15H2,(H4,26,27,28,30,31,32)/p+1