2-[2-oxidanylidene-2-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-keto-2-[(2-keto-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]thio]quinazolin-4-olate Formula: C17H12N5O3S- MolecularWeight: 366.37388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC(=O)NC3=CC4=C(C=C3)NC(=O)N4)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCC(=O)NC3=CC4=C(C=C3)NC(=O)N4)[O-]

InChI

InChI=1S/C17H13N5O3S/c23-14(18-9-5-6-12-13(7-9)20-16(25)19-12)8-26-17-21-11-4-2-1-3-10(11)15(24)22-17/h1-7H,8H2,(H,18,23)(H2,19,20,25)(H,21,22,24)/p-1