3-chloranyl-6-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-chloranyl-6-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-chloro-6-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzothiophene-2-carboxylic acid CAS Name: 3-chloro-6-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-chloro-6-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-chloro-6-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzothiophene-2-carboxylic acid Formula: C17H10ClN3O2S2 MolecularWeight: 387.8632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)C(=C(S4)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)C(=C(S4)C(=O)O)Cl

InChI

InChI=1S/C17H10ClN3O2S2/c18-13-11-7-6-10(8-12(11)25-14(13)16(22)23)21-15(19-20-17(21)24)9-4-2-1-3-5-9/h1-8H,(H,20,24)(H,22,23)