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

Systemtic Name: methyl 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: methyl 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]butanoic acid methyl ester IUPAC Name: methyl 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]butyric acid methyl ester Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=NN=C(N1C2CC2)C3CC3

Isomeric SMILES

COC(=O)CCCSC1=NN=C(N1C2CC2)C3CC3

InChI

InChI=1S/C13H19N3O2S/c1-18-11(17)3-2-8-19-13-15-14-12(9-4-5-9)16(13)10-6-7-10/h9-10H,2-8H2,1H3