methyl 4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]butyric acid methyl ester Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=NN=CN1C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=NN=CN1C2=CC=CC=C2

InChI

InChI=1S/C15H18N4O3S/c1-22-14(21)8-5-9-16-13(20)10-23-15-18-17-11-19(15)12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,16,20)