[4-[2-[(5-phenylpyridin-3-yl)methylamino]ethoxy]phenyl] thiocyanate

Systemtic Name: [4-[2-[(5-phenylpyridin-3-yl)methylamino]ethoxy]phenyl] thiocyanate Openeye Name: [4-[2-[(5-phenyl-3-pyridyl)methylamino]ethoxy]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[2-[(5-phenyl-3-pyridinyl)methylamino]ethoxy]phenyl] ester IUPAC Name: [4-[2-[(5-phenylpyridin-3-yl)methylamino]ethoxy]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[2-[(5-phenyl-3-pyridyl)methylamino]ethoxy]phenyl] ester Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CN=C2)CNCCOC3=CC=C(C=C3)SC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CN=C2)CNCCOC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C21H19N3OS/c22-16-26-21-8-6-20(7-9-21)25-11-10-23-13-17-12-19(15-24-14-17)18-4-2-1-3-5-18/h1-9,12,14-15,23H,10-11,13H2