N-[4-[(2-cyanophenyl)methyl]-5-phenyl-1,2,4-oxathiazol-4-ium-3-ylidene]benzamide thiocyanate

Systemtic Name: N-[4-[(2-cyanophenyl)methyl]-5-phenyl-1,2,4-oxathiazol-4-ium-3-ylidene]benzamide thiocyanate Openeye Name: N-[4-[(2-cyanophenyl)methyl]-5-phenyl-1,2,4-oxathiazol-4-ium-3-ylidene]benzamide thiocyanate CAS Name: N-[4-[(2-cyanophenyl)methyl]-5-phenyl-1,2,4-oxathiazol-4-ium-3-ylidene]benzamide thiocyanate IUPAC Name: N-[4-[(2-cyanophenyl)methyl]-5-phenyl-1,2,4-oxathiazol-4-ium-3-ylidene]benzamide thiocyanate Traditional Name: N-[4-(2-cyanobenzyl)-5-phenyl-1,2,4-oxathiazol-4-ium-3-ylidene]benzamide thiocyanate Formula: C24H16N4O2S2 MolecularWeight: 456.53944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](C(=NC(=O)C3=CC=CC=C3)SO2)CC4=CC=CC=C4C#N.C(#N)[S-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](C(=NC(=O)C3=CC=CC=C3)SO2)CC4=CC=CC=C4C#N.C(#N)[S-]

InChI

InChI=1S/C23H16N3O2S.CHNS/c24-15-19-13-7-8-14-20(19)16-26-22(18-11-5-2-6-12-18)28-29-23(26)25-21(27)17-9-3-1-4-10-17;2-1-3/h1-14H,16H2;3H/q+1;/p-1