[3-methyl-4-(2-phenylsulfanylethanoylamino)phenyl] thiocyanate

Systemtic Name: [3-methyl-4-(2-phenylsulfanylethanoylamino)phenyl] thiocyanate Openeye Name: [3-methyl-4-[(2-phenylsulfanylacetyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[(2-phenylsulfanylacetyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[2-(phenylthio)acetyl]amino]phenyl] ester Formula: C16H14N2OS2 MolecularWeight: 314.42516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C16H14N2OS2/c1-12-9-14(21-11-17)7-8-15(12)18-16(19)10-20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,19)