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

Systemtic Name: methyl 2-[[5-(3-chloranyl-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(3-chlorobenzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-chlorobenzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C14H12ClN3O2S2 MolecularWeight: 353.84698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C14H12ClN3O2S2/c1-18-13(16-17-14(18)21-7-10(19)20-2)12-11(15)8-5-3-4-6-9(8)22-12/h3-6H,7H2,1-2H3