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

Systemtic Name: 3-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: 3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propionate Formula: C8H11N4O2S- MolecularWeight: 227.26354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCCC(=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCCC(=O)[O-]

InChI

InChI=1S/C8H12N4O2S/c9-12-7(5-1-2-5)10-11-8(12)15-4-3-6(13)14/h5H,1-4,9H2,(H,13,14)/p-1