3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]propionate Formula: C11H14N3O2S- MolecularWeight: 252.31276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCCC(=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCCC(=O)[O-]

InChI

InChI=1S/C11H15N3O2S/c15-9(16)5-6-17-11-13-12-10(7-1-2-7)14(11)8-3-4-8/h7-8H,1-6H2,(H,15,16)/p-1