N-(3-iodanyl-4-methyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-iodo-4-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-iodo-4-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C16H12IN3O2S MolecularWeight: 437.25485

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)I

InChI

InChI=1S/C16H12IN3O2S/c1-8-2-4-10(7-12(8)17)18-14(21)9-3-5-11-13(6-9)19-16(23)20-15(11)22/h2-7H,1H3,(H,18,21)(H2,19,20,22,23)