N,2,4,5-tetraphenyl-1,2,4-triazol-4-ium-3-carbothioamide

Systemtic Name: N,2,4,5-tetraphenyl-1,2,4-triazol-4-ium-3-carbothioamide Openeye Name: N,2,4,5-tetraphenyl-1,2,4-triazol-4-ium-3-carbothioamide CAS Name: N,2,4,5-tetraphenyl-1,2,4-triazol-4-ium-3-carbothioamide IUPAC Name: N,2,4,5-tetraphenyl-1,2,4-triazol-4-ium-3-carbothioamide Traditional Name: N,2,4,5-tetraphenyl-1,2,4-triazol-4-ium-3-carbothioamide Formula: C27H21N4S+ MolecularWeight: 433.54744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=[N+]2C3=CC=CC=C3)C(=S)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=[N+]2C3=CC=CC=C3)C(=S)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H20N4S/c32-26(28-22-15-7-2-8-16-22)27-30(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)29-31(27)24-19-11-4-12-20-24/h1-20H/p+1