methyl 4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-benzyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-benzyl-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3

InChI

InChI=1S/C17H14N2O3S/c1-22-16(21)12-7-8-13-14(9-12)18-17(23)19(15(13)20)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,23)