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

Systemtic Name: (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-butanoate Openeye Name: (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-butanoate CAS Name: (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-methylbutanoate IUPAC Name: (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanoate Traditional Name: (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-methyl-butyrate Formula: C13H18N3O2S- MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])SC1=NN=C(N1C2CC2)C3CC3

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])SC1=NN=C(N1C2CC2)C3CC3

InChI

InChI=1S/C13H19N3O2S/c1-7(2)10(12(17)18)19-13-15-14-11(8-3-4-8)16(13)9-5-6-9/h7-10H,3-6H2,1-2H3,(H,17,18)/p-1/t10-/m0/s1