[2-chloranyl-4-(3-phenylpropanoylamino)phenyl] thiocyanate

Systemtic Name: [2-chloranyl-4-(3-phenylpropanoylamino)phenyl] thiocyanate Openeye Name: [2-chloro-4-(3-phenylpropanoylamino)phenyl] thiocyanate CAS Name: thiocyanic acid [2-chloro-4-[(1-oxo-3-phenylpropyl)amino]phenyl] ester IUPAC Name: [2-chloro-4-(3-phenylpropanoylamino)phenyl] thiocyanate Traditional Name: thiocyanic acid [2-chloro-4-(hydrocinnamoylamino)phenyl] ester Formula: C16H13ClN2OS MolecularWeight: 316.80522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2OS/c17-14-10-13(7-8-15(14)21-11-18)19-16(20)9-6-12-4-2-1-3-5-12/h1-5,7-8,10H,6,9H2,(H,19,20)