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

Systemtic Name: 4-[3-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]propoxy]benzoate Formula: C18H23N4O3S- MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCCCOC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCCCOC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H24N4O3S/c19-22-16(13-5-2-1-3-6-13)20-21-18(22)26-12-4-11-25-15-9-7-14(8-10-15)17(23)24/h7-10,13H,1-6,11-12,19H2,(H,23,24)/p-1