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

Systemtic Name: 3-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]propionate Formula: C11H11N4O2S- MolecularWeight: 263.29564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2N)SCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2N)SCCC(=O)[O-]

InChI

InChI=1S/C11H12N4O2S/c12-15-10(8-4-2-1-3-5-8)13-14-11(15)18-7-6-9(16)17/h1-5H,6-7,12H2,(H,16,17)/p-1