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

Systemtic Name: methyl 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-propanoate Openeye Name: methyl 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-propanoate CAS Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpropanoate Traditional Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-2-methyl-propionic acid methyl ester Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2S/c1-8(12(17)18-2)7-19-13-15-14-11(9-3-4-9)16(13)10-5-6-10/h8-10H,3-7H2,1-2H3