2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-chlorophenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-chlorophenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H10ClN3O2S2 MolecularWeight: 351.8311

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)O

InChI

InChI=1S/C14H10ClN3O2S2/c15-9-3-5-10(6-4-9)18-13(11-2-1-7-21-11)16-17-14(18)22-8-12(19)20/h1-7H,8H2,(H,19,20)