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

Systemtic Name: methyl (2S)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: methyl (2S)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: (2S)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: (2S)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]butyric acid methyl ester Formula: C11H13N3O2S2 MolecularWeight: 283.36982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NNC(=N1)C2=CC=CS2

Isomeric SMILES

CC[C@@H](C(=O)OC)SC1=NNC(=N1)C2=CC=CS2

InChI

InChI=1S/C11H13N3O2S2/c1-3-7(10(15)16-2)18-11-12-9(13-14-11)8-5-4-6-17-8/h4-7H,3H2,1-2H3,(H,12,13,14)/t7-/m0/s1