2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3-amino-3-oxo-propyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-amino-3-oxopropyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-amino-3-oxopropyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3-amino-3-keto-propyl)-5-isopropyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C10H16N4O3S MolecularWeight: 272.32404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N4O3S/c1-6(2)9-12-13-10(18-5-8(16)17)14(9)4-3-7(11)15/h6H,3-5H2,1-2H3,(H2,11,15)(H,16,17)