4-[2-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid

Systemtic Name: 4-[2-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H21N3O3S/c21-16(22)13-6-8-14(9-7-13)23-10-11-24-17-18-15(19-20-17)12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,21,22)(H,18,19,20)