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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C(C)C(=O)N)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1C(C)C(=O)N)SCC(=O)O

InChI

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