2-[(3-azanylidene-5-phenyl-1,2,4-oxathiazol-4-ium-4-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(3-azanylidene-5-phenyl-1,2,4-oxathiazol-4-ium-4-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(3-imino-5-phenyl-1,2,4-oxathiazol-4-ium-4-yl)methyl]benzonitrile CAS Name: 2-[(3-imino-5-phenyl-1,2,4-oxathiazol-4-ium-4-yl)methyl]benzonitrile IUPAC Name: 2-[(3-imino-5-phenyl-1,2,4-oxathiazol-4-ium-4-yl)methyl]benzonitrile Traditional Name: 2-[(3-imino-5-phenyl-1,2,4-oxathiazol-4-ium-4-yl)methyl]benzonitrile Formula: C16H12N3OS+ MolecularWeight: 294.35098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](C(=N)SO2)CC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](C(=N)SO2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C16H12N3OS/c17-10-13-8-4-5-9-14(13)11-19-15(20-21-16(19)18)12-6-2-1-3-7-12/h1-9,18H,11H2/q+1