5-anthracen-9-yl-N-(2-methoxy-5-methyl-phenyl)-4-methyl-1,3,4-thiadiazol-4-ium-2-amine chloride

Systemtic Name: 5-anthracen-9-yl-N-(2-methoxy-5-methyl-phenyl)-4-methyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(9-anthryl)-N-(2-methoxy-5-methyl-phenyl)-4-methyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-(9-anthracenyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-anthracen-9-yl-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [5-(9-anthryl)-4-methyl-1,3,4-thiadiazol-4-ium-2-yl]-(2-methoxy-5-methyl-phenyl)amine chloride Formula: C25H22ClN3OS MolecularWeight: 447.97968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=C4C=CC=CC4=CC5=CC=CC=C53)C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=C4C=CC=CC4=CC5=CC=CC=C53)C.[Cl-]

InChI

InChI=1S/C25H22N3OS.ClH/c1-16-12-13-22(29-3)21(14-16)26-25-27-28(2)24(30-25)23-19-10-6-4-8-17(19)15-18-9-5-7-11-20(18)23;/h4-15H,1-3H3,(H,26,27);1H/q+1;/p-1