(2R)-3-methyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanoate

Systemtic Name: (2R)-3-methyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanoate Openeye Name: (2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-butanoate CAS Name: (2R)-3-methyl-2-[(1-phenyl-5-tetrazolyl)thio]butanoate IUPAC Name: (2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanylbutanoate Traditional Name: (2R)-3-methyl-2-[(1-phenyltetrazol-5-yl)thio]butyrate Formula: C12H13N4O2S- MolecularWeight: 277.32222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])SC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])SC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C12H14N4O2S/c1-8(2)10(11(17)18)19-12-13-14-15-16(12)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,17,18)/p-1/t10-/m1/s1