4,4,5-trimethyl-2-phenyl-7-phenylsulfanyl-3H-1,2,4-benzotriazine-2,4-diium

Systemtic Name: 4,4,5-trimethyl-2-phenyl-7-phenylsulfanyl-3H-1,2,4-benzotriazine-2,4-diium Openeye Name: 4,4,5-trimethyl-2-phenyl-7-phenylsulfanyl-3H-1,2,4-benzotriazine-2,4-diium CAS Name: 4,4,5-trimethyl-2-phenyl-7-(phenylthio)-3H-1,2,4-benzotriazine-2,4-diium IUPAC Name: 4,4,5-trimethyl-2-phenyl-7-phenylsulfanyl-3H-1,2,4-benzotriazine-2,4-diium Traditional Name: 4,4,5-trimethyl-2-phenyl-7-(phenylthio)-3H-1,2,4-benzotriazine-2,4-diium Formula: C22H23N3S+2 MolecularWeight: 361.50312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1[N+](C[N+](=N2)C3=CC=CC=C3)(C)C)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC2=C1[N+](C[N+](=N2)C3=CC=CC=C3)(C)C)SC4=CC=CC=C4

InChI

InChI=1S/C22H23N3S/c1-17-14-20(26-19-12-8-5-9-13-19)15-21-22(17)25(2,3)16-24(23-21)18-10-6-4-7-11-18/h4-15H,16H2,1-3H3/q+2