methyl 3-(4-chlorophenyl)-9-sulfanylidene-thioxanthene-1-carboxylate

Systemtic Name: methyl 3-(4-chlorophenyl)-9-sulfanylidene-thioxanthene-1-carboxylate Openeye Name: methyl 3-(4-chlorophenyl)-9-thioxo-thioxanthene-1-carboxylate CAS Name: 3-(4-chlorophenyl)-9-sulfanylidene-1-thioxanthenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)-9-sulfanylidenethioxanthene-1-carboxylate Traditional Name: 3-(4-chlorophenyl)-9-thioxo-thioxanthene-1-carboxylic acid methyl ester Formula: C21H13ClO2S2 MolecularWeight: 396.90972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC(=C1)C3=CC=C(C=C3)Cl)SC4=CC=CC=C4C2=S

Isomeric SMILES

COC(=O)C1=C2C(=CC(=C1)C3=CC=C(C=C3)Cl)SC4=CC=CC=C4C2=S

InChI

InChI=1S/C21H13ClO2S2/c1-24-21(23)16-10-13(12-6-8-14(22)9-7-12)11-18-19(16)20(25)15-4-2-3-5-17(15)26-18/h2-11H,1H3