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

Systemtic Name: methyl 2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: methyl 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]butyric acid methyl ester Formula: C10H15N3O3S MolecularWeight: 257.3094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N3O3S/c1-3-7(8(14)16-2)17-10-12-11-9(15)13(10)6-4-5-6/h6-7H,3-5H2,1-2H3,(H,11,15)