2-[(5-azanyl-3-morpholin-4-yl-1,2,4-triazol-1-yl)carbothioylamino]ethanoic acid

Systemtic Name: 2-[(5-azanyl-3-morpholin-4-yl-1,2,4-triazol-1-yl)carbothioylamino]ethanoic acid Openeye Name: 2-[(5-amino-3-morpholino-1,2,4-triazole-1-carbothioyl)amino]acetic acid CAS Name: 2-[[[5-amino-3-(4-morpholinyl)-1,2,4-triazol-1-yl]-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[(5-amino-3-morpholin-4-yl-1,2,4-triazole-1-carbothioyl)amino]acetic acid Traditional Name: 2-[(5-amino-3-morpholino-1,2,4-triazole-1-carbothioyl)amino]acetic acid Formula: C9H14N6O3S MolecularWeight: 286.31086

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN(C(=N2)N)C(=S)NCC(=O)O

Isomeric SMILES

C1COCCN1C2=NN(C(=N2)N)C(=S)NCC(=O)O

InChI

InChI=1S/C9H14N6O3S/c10-7-12-8(14-1-3-18-4-2-14)13-15(7)9(19)11-5-6(16)17/h1-5H2,(H,11,19)(H,16,17)(H2,10,12,13)