2-[2-[(5-bromanyl-2-methoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[(5-bromo-2-methoxy-phenyl)methylamino]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[(5-bromo-2-methoxyphenyl)methylamino]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-[(5-bromo-2-methoxy-benzyl)amino]-2-keto-ethyl]thio]quinazolin-4-olate Formula: C18H15BrN3O3S- MolecularWeight: 433.299

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C18H16BrN3O3S/c1-25-15-7-6-12(19)8-11(15)9-20-16(23)10-26-18-21-14-5-3-2-4-13(14)17(24)22-18/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22,24)/p-1