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

Systemtic Name: 2-[(4-cyclohexyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[4-cyclohexyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[(4-cyclohexyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-cyclohexyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[[4-cyclohexyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H17N3O2S2 MolecularWeight: 323.43368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)O)C3=CC=CS3

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)O)C3=CC=CS3

InChI

InChI=1S/C14H17N3O2S2/c18-12(19)9-21-14-16-15-13(11-7-4-8-20-11)17(14)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,18,19)