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

Systemtic Name: 2-[(4-cycloheptyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-cycloheptyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-cycloheptyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-cycloheptyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-cycloheptyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C14H21N3O2S MolecularWeight: 295.40044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C(=NN=C2SCC(=O)O)C3CC3

Isomeric SMILES

C1CCCC(CC1)N2C(=NN=C2SCC(=O)O)C3CC3

InChI

InChI=1S/C14H21N3O2S/c18-12(19)9-20-14-16-15-13(10-7-8-10)17(14)11-5-3-1-2-4-6-11/h10-11H,1-9H2,(H,18,19)