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

Systemtic Name: 3-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 3-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionic acid Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O2S/c21-15(22)11-12-23-17-19-18-16(13-7-3-1-4-8-13)20(17)14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,21,22)