2-[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl]thio]quinazolin-4-olate Formula: C17H12Br2N3O2S- MolecularWeight: 482.16908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])Br

InChI

InChI=1S/C17H13Br2N3O2S/c1-9-6-11(18)15(12(19)7-9)21-14(23)8-25-17-20-13-5-3-2-4-10(13)16(24)22-17/h2-7H,8H2,1H3,(H,21,23)(H,20,22,24)/p-1