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

Systemtic Name: 2-[[4-(1-azanyl-1-oxidanylidene-propan-2-yl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-amino-1-methyl-2-oxo-ethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(1-amino-1-oxopropan-2-yl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(1-amino-1-oxopropan-2-yl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-amino-2-keto-1-methyl-ethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C10H14N4O3S MolecularWeight: 270.30816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1C(=NN=C1SCC(=O)O)C2CC2

Isomeric SMILES

CC(C(=O)N)N1C(=NN=C1SCC(=O)O)C2CC2

InChI

InChI=1S/C10H14N4O3S/c1-5(8(11)17)14-9(6-2-3-6)12-13-10(14)18-4-7(15)16/h5-6H,2-4H2,1H3,(H2,11,17)(H,15,16)