2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6,8-bis(bromanyl)quinazolin-4-olate

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6,8-bis(bromanyl)quinazolin-4-olate Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6,8-dibromo-quinazolin-4-olate CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-6,8-dibromo-4-quinazolinolate IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6,8-dibromoquinazolin-4-olate Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-6,8-dibromo-quinazolin-4-olate Formula: C16H8Br2N3OS2- MolecularWeight: 482.19222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=NC4=C(C=C(C=C4C(=N3)[O-])Br)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=NC4=C(C=C(C=C4C(=N3)[O-])Br)Br

InChI

InChI=1S/C16H9Br2N3OS2/c17-8-5-9-14(10(18)6-8)20-13(21-15(9)22)7-23-16-19-11-3-1-2-4-12(11)24-16/h1-6H,7H2,(H,20,21,22)/p-1