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

Systemtic Name: 3-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[4-(2,3-dimethylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-(2,3-dimethylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C17H16N3O2S2- MolecularWeight: 358.45784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=C2SCCC(=O)[O-])C3=CC=CS3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=C2SCCC(=O)[O-])C3=CC=CS3)C

InChI

InChI=1S/C17H17N3O2S2/c1-11-5-3-6-13(12(11)2)20-16(14-7-4-9-23-14)18-19-17(20)24-10-8-15(21)22/h3-7,9H,8,10H2,1-2H3,(H,21,22)/p-1