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

Systemtic Name: 4-[2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H22N4O3S/c18-21-15(12-4-2-1-3-5-12)19-20-17(21)25-11-10-24-14-8-6-13(7-9-14)16(22)23/h6-9,12H,1-5,10-11,18H2,(H,22,23)