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

Systemtic Name: 2-chloranyl-5-[3-(3-methylthiophen-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 2-chloro-5-[3-(3-methyl-2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 2-chloro-5-[3-(3-methyl-2-thiophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 2-chloro-5-[3-(3-methylthiophen-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 2-chloro-5-[3-(3-methyl-2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid Formula: C14H10ClN3O2S2 MolecularWeight: 351.8311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClN3O2S2/c1-7-4-5-22-11(7)12-16-17-14(21)18(12)8-2-3-10(15)9(6-8)13(19)20/h2-6H,1H3,(H,17,21)(H,19,20)