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

Systemtic Name: methyl 2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4,5-bis(2-thienyl)-1H-imidazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[[4,5-bis(2-thienyl)-1H-imidazol-2-yl]thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H16N4O3S3 MolecularWeight: 480.58244

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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=CS4)C5=CC=CS5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC(=C(N3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C22H16N4O3S3/c1-29-21(28)12-6-7-13-14(10-12)23-17(24-20(13)27)11-32-22-25-18(15-4-2-8-30-15)19(26-22)16-5-3-9-31-16/h2-10H,11H2,1H3,(H,25,26)(H,23,24,27)