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

Systemtic Name: 3-chloranyl-6-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-chloro-6-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzothiophene-2-carboxylic acid CAS Name: 3-chloro-6-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-chloro-6-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-chloro-6-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzothiophene-2-carboxylic acid Formula: C18H12ClN3O2S2 MolecularWeight: 401.88978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)C(=C(S4)C(=O)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)C(=C(S4)C(=O)O)Cl

InChI

InChI=1S/C18H12ClN3O2S2/c1-9-2-4-10(5-3-9)16-20-21-18(25)22(16)11-6-7-12-13(8-11)26-15(14(12)19)17(23)24/h2-8H,1H3,(H,21,25)(H,23,24)