5-azanyl-3-morpholin-4-yl-N-(1-oxidanylbutan-2-yl)-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-3-morpholin-4-yl-N-(1-oxidanylbutan-2-yl)-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-[1-(hydroxymethyl)propyl]-3-morpholino-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-(1-hydroxybutan-2-yl)-3-(4-morpholinyl)-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-(1-hydroxybutan-2-yl)-3-morpholin-4-yl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-(1-methylolpropyl)-3-morpholino-1,2,4-triazole-1-carbothioamide Formula: C11H20N6O2S MolecularWeight: 300.3805

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC(=S)N1C(=NC(=N1)N2CCOCC2)N

Isomeric SMILES

CCC(CO)NC(=S)N1C(=NC(=N1)N2CCOCC2)N

InChI

InChI=1S/C11H20N6O2S/c1-2-8(7-18)13-11(20)17-9(12)14-10(15-17)16-3-5-19-6-4-16/h8,18H,2-7H2,1H3,(H,13,20)(H2,12,14,15)