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

Systemtic Name: 2-[(4-cycloheptyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-cycloheptyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-cycloheptyl-5-methyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-cycloheptyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-cycloheptyl-5-methyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C12H19N3O2S MolecularWeight: 269.36316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCCC2)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C2CCCCCC2)SCC(=O)O

InChI

InChI=1S/C12H19N3O2S/c1-9-13-14-12(18-8-11(16)17)15(9)10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,16,17)