2-[(3,4-dichlorophenyl)methyl]-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-[(3,4-dichlorophenyl)methyl]-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(3,4-dichlorophenyl)methyl]-4-thioxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[(3,4-dichlorophenyl)methyl]-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[(3,4-dichlorophenyl)methyl]-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-(3,4-dichlorobenzyl)-4-thioxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C14H8Cl2N2O2S2 MolecularWeight: 371.26152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=NC3=C(C=C(S3)C(=O)O)C(=S)N2)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CC2=NC3=C(C=C(S3)C(=O)O)C(=S)N2)Cl)Cl

InChI

InChI=1S/C14H8Cl2N2O2S2/c15-8-2-1-6(3-9(8)16)4-11-17-12(21)7-5-10(14(19)20)22-13(7)18-11/h1-3,5H,4H2,(H,19,20)(H,17,18,21)