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

Systemtic Name: (2R)-2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: (2R)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: (2R)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]butanoate IUPAC Name: (2R)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: (2R)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]butyrate Formula: C12H13N4O2S- MolecularWeight: 277.32222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NN=C(N1N)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)[O-])SC1=NN=C(N1N)C2=CC=CC=C2

InChI

InChI=1S/C12H14N4O2S/c1-2-9(11(17)18)19-12-15-14-10(16(12)13)8-6-4-3-5-7-8/h3-7,9H,2,13H2,1H3,(H,17,18)/p-1/t9-/m1/s1