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

Systemtic Name: 5-[4-(diethylamino)phenyl]-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-[4-(diethylamino)phenyl]-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-[4-(diethylamino)phenyl]-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-[4-(diethylamino)phenyl]-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [4-[5-anilino-3-(4-fluorophenyl)-1,3,4-thiadiazol-3-ium-2-yl]phenyl]-diethyl-amine Formula: C24H24FN4S+ MolecularWeight: 419.537563

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H24FN4S/c1-3-28(4-2)21-14-10-18(11-15-21)23-29(22-16-12-19(25)13-17-22)27-24(30-23)26-20-8-6-5-7-9-20/h5-17H,3-4H2,1-2H3,(H,26,27)/q+1