[2-chloranyl-4-(2-phenylpropanoylamino)phenyl] thiocyanate

Systemtic Name: [2-chloranyl-4-(2-phenylpropanoylamino)phenyl] thiocyanate Openeye Name: [2-chloro-4-(2-phenylpropanoylamino)phenyl] thiocyanate CAS Name: thiocyanic acid [2-chloro-4-[(1-oxo-2-phenylpropyl)amino]phenyl] ester IUPAC Name: [2-chloro-4-(2-phenylpropanoylamino)phenyl] thiocyanate Traditional Name: thiocyanic acid [2-chloro-4-(hydratropoylamino)phenyl] ester Formula: C16H13ClN2OS MolecularWeight: 316.80522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)SC#N)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)SC#N)Cl

InChI

InChI=1S/C16H13ClN2OS/c1-11(12-5-3-2-4-6-12)16(20)19-13-7-8-15(21-10-18)14(17)9-13/h2-9,11H,1H3,(H,19,20)