2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-iodanyl-quinazolin-4-olate

Systemtic Name: 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-iodanyl-quinazolin-4-olate Openeye Name: 2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanyl-6-iodo-quinazolin-4-olate CAS Name: 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-6-iodo-4-quinazolinolate IUPAC Name: 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-6-iodoquinazolin-4-olate Traditional Name: 2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]-6-iodo-quinazolin-4-olate Formula: C18H15IN3O2S- MolecularWeight: 464.30007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)I)C(=N2)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)I)C(=N2)[O-])C

InChI

InChI=1S/C18H16IN3O2S/c1-10-3-5-14(11(2)7-10)20-16(23)9-25-18-21-15-6-4-12(19)8-13(15)17(24)22-18/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22,24)/p-1