[4-(3-pyridin-2-ylsulfanylpropanoylamino)phenyl] thiocyanate

Systemtic Name: [4-(3-pyridin-2-ylsulfanylpropanoylamino)phenyl] thiocyanate Openeye Name: [4-[3-(2-pyridylsulfanyl)propanoylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[1-oxo-3-(2-pyridinylthio)propyl]amino]phenyl] ester IUPAC Name: [4-(3-pyridin-2-ylsulfanylpropanoylamino)phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[3-(2-pyridylthio)propanoylamino]phenyl] ester Formula: C15H13N3OS2 MolecularWeight: 315.41322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3OS2/c16-11-21-13-6-4-12(5-7-13)18-14(19)8-10-20-15-3-1-2-9-17-15/h1-7,9H,8,10H2,(H,18,19)