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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2CCCCCC2)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1C2CCCCCC2)SCC(=O)O

InChI

InChI=1S/C14H23N3O2S/c1-2-7-12-15-16-14(20-10-13(18)19)17(12)11-8-5-3-4-6-9-11/h11H,2-10H2,1H3,(H,18,19)