N'-(4-phenoxybutyl)-2-sulfanyl-ethanimidamide; sulfurothioic O-acid

Systemtic Name: N'-(4-phenoxybutyl)-2-sulfanyl-ethanimidamide; sulfurothioic O-acid Openeye Name: N'-(4-phenoxybutyl)-2-sulfanyl-acetamidine; sulfurothioic O-acid CAS Name: 2-mercapto-N'-(4-phenoxybutyl)ethanimidamide; sulfurothioic O-acid IUPAC Name: N'-(4-phenoxybutyl)-2-sulfanylethanimidamide; sulfurothioic O-acid Traditional Name: 2-mercapto-N'-(4-phenoxybutyl)acetamidine; sulfurothioic O-acid Formula: C12H20N2O4S3 MolecularWeight: 352.4932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCN=C(CS)N.OS(=O)(=S)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCN=C(CS)N.OS(=O)(=S)O

InChI

InChI=1S/C12H18N2OS.H2O3S2/c13-12(10-16)14-8-4-5-9-15-11-6-2-1-3-7-11;1-5(2,3)4/h1-3,6-7,16H,4-5,8-10H2,(H2,13,14);(H2,1,2,3,4)