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

Systemtic Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]butanoate IUPAC Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]butyrate Formula: C12H16N3O2S- MolecularWeight: 266.33934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2S/c16-10(17)2-1-7-18-12-14-13-11(8-3-4-8)15(12)9-5-6-9/h8-9H,1-7H2,(H,16,17)/p-1