2-[[4-(3-methylcyclohexyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(3-methylcyclohexyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3-methylcyclohexyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-methylcyclohexyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-methylcyclohexyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3-methylcyclohexyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H23N3O2S MolecularWeight: 297.41632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2CCCC(C2)C)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1C2CCCC(C2)C)SCC(=O)O

InChI

InChI=1S/C14H23N3O2S/c1-3-5-12-15-16-14(20-9-13(18)19)17(12)11-7-4-6-10(2)8-11/h10-11H,3-9H2,1-2H3,(H,18,19)