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

Systemtic Name: 2-[[5-(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(3-chloro-6-methoxy-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-chloro-6-methoxy-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C14H11ClN3O3S2- MolecularWeight: 368.83844

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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)/p-1