4-(4-fluorophenyl)-5-(4-methoxy-2,3-dimethyl-phenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine

Systemtic Name: 4-(4-fluorophenyl)-5-(4-methoxy-2,3-dimethyl-phenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 4-(4-fluorophenyl)-5-(4-methoxy-2,3-dimethyl-phenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 4-(4-fluorophenyl)-5-(4-methoxy-2,3-dimethylphenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 4-(4-fluorophenyl)-5-(4-methoxy-2,3-dimethylphenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [4-(4-fluorophenyl)-5-(4-methoxy-2,3-dimethyl-phenyl)-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine Formula: C23H21FN3OS+ MolecularWeight: 406.495743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H21FN3OS/c1-15-16(2)21(28-3)14-13-20(15)22-27(19-11-9-17(24)10-12-19)26-23(29-22)25-18-7-5-4-6-8-18/h4-14H,1-3H3,(H,25,26)/q+1