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

Systemtic Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-propanoic acid CAS Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-2-methylpropanoic acid IUPAC Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpropanoic acid Traditional Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-2-methyl-propionic acid Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NN=C(N1C2CC2)C3CC3)C(=O)O

Isomeric SMILES

CC(CSC1=NN=C(N1C2CC2)C3CC3)C(=O)O

InChI

InChI=1S/C12H17N3O2S/c1-7(11(16)17)6-18-12-14-13-10(8-2-3-8)15(12)9-4-5-9/h7-9H,2-6H2,1H3,(H,16,17)