4-[3-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate

Systemtic Name: 4-[3-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)thio]propoxy]benzoate Formula: C18H22N3O3S- MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2)SCCCOC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2)SCCCOC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H23N3O3S/c22-17(23)14-7-9-15(10-8-14)24-11-4-12-25-18-19-16(20-21-18)13-5-2-1-3-6-13/h7-10,13H,1-6,11-12H2,(H,22,23)(H,19,20,21)/p-1