methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate

Systemtic Name: methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate Openeye Name: methyl 6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate CAS Name: 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid methyl ester IUPAC Name: methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate Traditional Name: 6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid methyl ester Formula: C16H11N3O2S MolecularWeight: 309.34244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C3=NC4=CC=CC=C4N3C(=S)N2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C3=NC4=CC=CC=C4N3C(=S)N2

InChI

InChI=1S/C16H11N3O2S/c1-21-15(20)9-6-7-10-12(8-9)18-16(22)19-13-5-3-2-4-11(13)17-14(10)19/h2-8H,1H3,(H,18,22)