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

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

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)O

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)O

InChI

InChI=1S/C10H14N4O3S/c11-7(15)3-4-14-9(6-1-2-6)12-13-10(14)18-5-8(16)17/h6H,1-5H2,(H2,11,15)(H,16,17)