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

Systemtic Name: methyl 2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(1,5-diphenyl-2-imidazolyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(1,5-diphenylimidazol-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(N3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC=C(N3C4=CC=CC=C4)C5=CC=CC=C5

InChI

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