2-(4-isothiocyanatophenyl)isoindole-1-carbonitrile

Systemtic Name: 2-(4-isothiocyanatophenyl)isoindole-1-carbonitrile Openeye Name: 2-(4-isothiocyanatophenyl)isoindole-1-carbonitrile CAS Name: 2-(4-isothiocyanatophenyl)-1-isoindolecarbonitrile IUPAC Name: 2-(4-isothiocyanatophenyl)isoindole-1-carbonitrile Traditional Name: 2-(4-isothiocyanatophenyl)isoindole-1-carbonitrile Formula: C16H9N3S MolecularWeight: 275.32776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CN(C(=C2C=C1)C#N)C3=CC=C(C=C3)N=C=S

Isomeric SMILES

C1=CC2=CN(C(=C2C=C1)C#N)C3=CC=C(C=C3)N=C=S

InChI

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