[5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-1-sulfanyl-pentan-2-yl] thiocyanate

Systemtic Name: [5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-1-sulfanyl-pentan-2-yl] thiocyanate Openeye Name: [4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-(sulfanylmethyl)butyl] thiocyanate CAS Name: thiocyanic acid [5-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-mercaptopentan-2-yl] ester IUPAC Name: [5-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-sulfanylpentan-2-yl] thiocyanate Traditional Name: thiocyanic acid [4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-(mercaptomethyl)butyl] ester Formula: C17H23NO3S2 MolecularWeight: 353.49942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC(CS)SC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC(CS)SC#N

InChI

InChI=1S/C17H23NO3S2/c1-3-5-15-16(8-7-14(12(2)19)17(15)20)21-9-4-6-13(10-22)23-11-18/h7-8,13,20,22H,3-6,9-10H2,1-2H3