2-[[5-(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(3-chloro-6-methoxy-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(3-chloro-6-methoxy-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H12ClN3O3S2 MolecularWeight: 369.84638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

InChI

InChI=1S/C14H12ClN3O3S2/c1-18-13(16-17-14(18)22-6-10(19)20)12-11(15)8-4-3-7(21-2)5-9(8)23-12/h3-5H,6H2,1-2H3,(H,19,20)