3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N'-oxidanyl-pentanimidamide

Systemtic Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N'-oxidanyl-pentanimidamide Openeye Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-pentanamidine CAS Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N'-hydroxypentanimidamide IUPAC Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxypentanimidamide Traditional Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N'-hydroxy-valeramidine Formula: C13H21N5OS MolecularWeight: 295.40374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=NO)N)SC1=NN=C(N1C2CC2)C3CC3

Isomeric SMILES

CCC(C/C(=N/O)/N)SC1=NN=C(N1C2CC2)C3CC3

InChI

InChI=1S/C13H21N5OS/c1-2-10(7-11(14)17-19)20-13-16-15-12(8-3-4-8)18(13)9-5-6-9/h8-10,19H,2-7H2,1H3,(H2,14,17)