methyl 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(4,5-diphenyl-1H-imidazol-2-yl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(4,5-diphenyl-1H-imidazol-2-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C26H20N4O3S MolecularWeight: 468.527

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H20N4O3S/c1-33-25(32)18-12-13-19-20(14-18)27-21(28-24(19)31)15-34-26-29-22(16-8-4-2-5-9-16)23(30-26)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,29,30)(H,27,28,31)