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

Systemtic Name: methyl 2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: methyl 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]propionic acid methyl ester Formula: C9H13N3O3S MolecularWeight: 243.28282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NNC(=O)N1C2CC2

Isomeric SMILES

CC(C(=O)OC)SC1=NNC(=O)N1C2CC2

InChI

InChI=1S/C9H13N3O3S/c1-5(7(13)15-2)16-9-11-10-8(14)12(9)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,10,14)