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

Systemtic Name: 4-[3-(3-methylthiophen-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[3-(3-methyl-2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[3-(3-methyl-2-thiophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[3-(3-methylthiophen-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[3-(3-methyl-2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid Formula: C14H11N3O2S2 MolecularWeight: 317.38604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C14H11N3O2S2/c1-8-6-7-21-11(8)12-15-16-14(20)17(12)10-4-2-9(3-5-10)13(18)19/h2-7H,1H3,(H,16,20)(H,18,19)