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

Systemtic Name: [(2S)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-2-hydroxy-propyl]-methyl-ammonium Formula: C12H21N4OS+ MolecularWeight: 269.38634

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CSC1=NN=C(N1C2CC2)C3CC3)O

Isomeric SMILES

C[NH2+]C[C@@H](CSC1=NN=C(N1C2CC2)C3CC3)O

InChI

InChI=1S/C12H20N4OS/c1-13-6-10(17)7-18-12-15-14-11(8-2-3-8)16(12)9-4-5-9/h8-10,13,17H,2-7H2,1H3/p+1/t10-/m0/s1