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

Systemtic Name: 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]thio]methyl]-4-keto-1H-quinazoline-7-carboxylate Formula: C27H21N4O3S- MolecularWeight: 481.54564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(N2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-])C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(N2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-])C5=CC=C(C=C5)C

InChI

InChI=1S/C27H22N4O3S/c1-15-3-7-17(8-4-15)23-24(18-9-5-16(2)6-10-18)31-27(30-23)35-14-22-28-21-13-19(26(33)34)11-12-20(21)25(32)29-22/h3-13H,14H2,1-2H3,(H,30,31)(H,33,34)(H,28,29,32)/p-1