ethyl 4-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NN=CN1C(C)C

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NN=CN1C(C)C

InChI

InChI=1S/C13H22N4O3S/c1-4-20-12(19)6-5-7-14-11(18)8-21-13-16-15-9-17(13)10(2)3/h9-10H,4-8H2,1-3H3,(H,14,18)