2-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2,3-dimethylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2,3-dimethylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C16H14N3O2S2- MolecularWeight: 344.43126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)[O-])C3=CC=CS3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)[O-])C3=CC=CS3)C

InChI

InChI=1S/C16H15N3O2S2/c1-10-5-3-6-12(11(10)2)19-15(13-7-4-8-22-13)17-18-16(19)23-9-14(20)21/h3-8H,9H2,1-2H3,(H,20,21)/p-1