2-[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]ethyl thiocyanate

Systemtic Name: 2-[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]ethyl thiocyanate Openeye Name: 2-[4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]ethyl thiocyanate CAS Name: thiocyanic acid 2-[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]ethyl ester IUPAC Name: 2-[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]ethyl thiocyanate Traditional Name: thiocyanic acid 2-[4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]ethyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(C=C2)CCSC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(C=C2)CCSC#N

InChI

InChI=1S/C21H23NO3S/c1-3-4-19-20(10-9-18(15(2)23)21(19)24)25-13-17-7-5-16(6-8-17)11-12-26-14-22/h5-10,24H,3-4,11-13H2,1-2H3