(2R)-3-methyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)butanoate

Systemtic Name: (2R)-3-methyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)butanoate Openeye Name: (2R)-3-methyl-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]butanoate CAS Name: (2R)-3-methyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)butanoate IUPAC Name: (2R)-3-methyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)butanoate Traditional Name: (2R)-3-methyl-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]butyrate Formula: C11H12N3O2S2- MolecularWeight: 282.36188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])N1C(=NNC1=S)C2=CC=CS2

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])N1C(=NNC1=S)C2=CC=CS2

InChI

InChI=1S/C11H13N3O2S2/c1-6(2)8(10(15)16)14-9(12-13-11(14)17)7-4-3-5-18-7/h3-6,8H,1-2H3,(H,13,17)(H,15,16)/p-1/t8-/m1/s1