methyl 4-[(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]benzoate

Systemtic Name: methyl 4-[(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]benzoate Openeye Name: methyl 4-[(5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]benzoate CAS Name: 4-[(5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate Traditional Name: 4-[(5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]benzoic acid methyl ester Formula: C12H10N2O3S MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)NC(=S)N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=C2C(=O)NC(=S)N2

InChI

InChI=1S/C12H10N2O3S/c1-17-11(16)8-4-2-7(3-5-8)6-9-10(15)14-12(18)13-9/h2-6H,1H3,(H2,13,14,15,18)