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

Systemtic Name: (2S)-2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-methyl-butanoate Openeye Name: (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-butanoate CAS Name: (2S)-2-[(1-cyclopropyl-5-tetrazolyl)thio]-3-methylbutanoate IUPAC Name: (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methylbutanoate Traditional Name: (2S)-2-[(1-cyclopropyltetrazol-5-yl)thio]-3-methyl-butyrate Formula: C9H13N4O2S- MolecularWeight: 241.29012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])SC1=NN=NN1C2CC2

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])SC1=NN=NN1C2CC2

InChI

InChI=1S/C9H14N4O2S/c1-5(2)7(8(14)15)16-9-10-11-12-13(9)6-3-4-6/h5-7H,3-4H2,1-2H3,(H,14,15)/p-1/t7-/m0/s1