(4-chlorophenyl) 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)thiophene-2-sulfonate

Systemtic Name: (4-chlorophenyl) 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)thiophene-2-sulfonate Openeye Name: (4-chlorophenyl) 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)thiophene-2-sulfonate CAS Name: 5-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-2-thiophenesulfonic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)thiophene-2-sulfonate Traditional Name: 5-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]thiophene-2-sulfonic acid (4-chlorophenyl) ester Formula: C14H12ClN3O3S3 MolecularWeight: 401.91138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2=CC=C(S2)S(=O)(=O)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SC)C2=CC=C(S2)S(=O)(=O)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H12ClN3O3S3/c1-18-13(16-17-14(18)22-2)11-7-8-12(23-11)24(19,20)21-10-5-3-9(15)4-6-10/h3-8H,1-2H3