[3,5-dimethyl-4-(2-phenylsulfanylethanoylamino)phenyl] thiocyanate

Systemtic Name: [3,5-dimethyl-4-(2-phenylsulfanylethanoylamino)phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[(2-phenylsulfanylacetyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[(2-phenylsulfanylacetyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-[[2-(phenylthio)acetyl]amino]phenyl] ester Formula: C17H16N2OS2 MolecularWeight: 328.45174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=CC=CC=C2)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=CC=CC=C2)C)SC#N

InChI

InChI=1S/C17H16N2OS2/c1-12-8-15(22-11-18)9-13(2)17(12)19-16(20)10-21-14-6-4-3-5-7-14/h3-9H,10H2,1-2H3,(H,19,20)