3-[[3-(3-methylthiophen-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoic acid

Systemtic Name: 3-[[3-(3-methylthiophen-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoic acid Openeye Name: 3-[[3-(3-methyl-2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]methyl]benzoic acid CAS Name: 3-[[3-(3-methyl-2-thiophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoic acid IUPAC Name: 3-[[3-(3-methylthiophen-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoic acid Traditional Name: 3-[[3-(3-methyl-2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]methyl]benzoic acid Formula: C15H13N3O2S2 MolecularWeight: 331.41262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=NNC(=S)N2CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C2=NNC(=S)N2CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C15H13N3O2S2/c1-9-5-6-22-12(9)13-16-17-15(21)18(13)8-10-3-2-4-11(7-10)14(19)20/h2-7H,8H2,1H3,(H,17,21)(H,19,20)