2-[[4-(3-azanyl-3-oxidanylidene-propyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3-amino-3-oxo-propyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-amino-3-oxopropyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-amino-3-oxopropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3-amino-3-keto-propyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C7H10N4O3S MolecularWeight: 230.2443

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN=C(N1CCC(=O)N)SCC(=O)O

Isomeric SMILES

C1=NN=C(N1CCC(=O)N)SCC(=O)O

InChI

InChI=1S/C7H10N4O3S/c8-5(12)1-2-11-4-9-10-7(11)15-3-6(13)14/h4H,1-3H2,(H2,8,12)(H,13,14)