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

Systemtic Name: ethyl 4-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: ethyl 4-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: 4-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 4-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]butyric acid ethyl ester Formula: C11H17N3O3S MolecularWeight: 271.33598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NNC(=O)N1C2CC2

Isomeric SMILES

CCOC(=O)CCCSC1=NNC(=O)N1C2CC2

InChI

InChI=1S/C11H17N3O3S/c1-2-17-9(15)4-3-7-18-11-13-12-10(16)14(11)8-5-6-8/h8H,2-7H2,1H3,(H,12,16)