5-[4-(diethylamino)phenyl]-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine

Systemtic Name: 5-[4-(diethylamino)phenyl]-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-[4-(diethylamino)phenyl]-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-[4-(diethylamino)phenyl]-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-[4-(diethylamino)phenyl]-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: diethyl-[4-[5-(4-ethylanilino)-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl]phenyl]amine Formula: C26H29N4S+ MolecularWeight: 429.60026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)N(CC)CC)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)N(CC)CC)C4=CC=CC=C4

InChI

InChI=1S/C26H29N4S/c1-4-20-12-16-22(17-13-20)27-26-28-30(24-10-8-7-9-11-24)25(31-26)21-14-18-23(19-15-21)29(5-2)6-3/h7-19H,4-6H2,1-3H3,(H,27,28)/q+1