2-[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-(4-iodo-2-methylanilino)-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-(4-iodo-2-methyl-anilino)-2-keto-ethyl]thio]quinazolin-4-olate Formula: C17H13IN3O2S- MolecularWeight: 450.27349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14IN3O2S/c1-10-8-11(18)6-7-13(10)19-15(22)9-24-17-20-14-5-3-2-4-12(14)16(23)21-17/h2-8H,9H2,1H3,(H,19,22)(H,20,21,23)/p-1