3-(1,3-benzothiazol-2-ylsulfanyl)-N'-oxidanyl-pentanimidamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N'-oxidanyl-pentanimidamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N'-hydroxy-pentanamidine CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N'-hydroxypentanimidamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N'-hydroxypentanimidamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N'-hydroxy-valeramidine Formula: C12H15N3OS2 MolecularWeight: 281.397

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=NO)N)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCC(C/C(=N/O)/N)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H15N3OS2/c1-2-8(7-11(13)15-16)17-12-14-9-5-3-4-6-10(9)18-12/h3-6,8,16H,2,7H2,1H3,(H2,13,15)