7-isothiocyanato-3-phenyl-2H-isoindole-1-carbonitrile

Systemtic Name: 7-isothiocyanato-3-phenyl-2H-isoindole-1-carbonitrile Openeye Name: 7-isothiocyanato-3-phenyl-2H-isoindole-1-carbonitrile CAS Name: 7-isothiocyanato-3-phenyl-2H-isoindole-1-carbonitrile IUPAC Name: 7-isothiocyanato-3-phenyl-2H-isoindole-1-carbonitrile Traditional Name: 7-isothiocyanato-3-phenyl-2H-isoindole-1-carbonitrile Formula: C16H9N3S MolecularWeight: 275.32776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC=C(C3=C(N2)C#N)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC=C(C3=C(N2)C#N)N=C=S

InChI

InChI=1S/C16H9N3S/c17-9-14-15-12(7-4-8-13(15)18-10-20)16(19-14)11-5-2-1-3-6-11/h1-8,19H