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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C17H14BrN3O2S MolecularWeight: 404.28096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C)Br

InChI

InChI=1S/C17H14BrN3O2S/c1-9-7-11(4-6-13(9)18)19-15(22)10-3-5-12-14(8-10)20-17(24)21(2)16(12)23/h3-8H,1-2H3,(H,19,22)(H,20,24)