N-(4-ethylphenyl)-5-(3-methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride

Systemtic Name: N-(4-ethylphenyl)-5-(3-methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: N-(4-ethylphenyl)-5-(m-tolyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: N-(4-ethylphenyl)-5-(3-methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: N-(4-ethylphenyl)-5-(3-methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: (4-ethylphenyl)-[5-(m-tolyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]amine chloride Formula: C23H22ClN3S MolecularWeight: 407.95888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N3S.ClH/c1-3-18-12-14-20(15-13-18)24-23-25-26(21-10-5-4-6-11-21)22(27-23)19-9-7-8-17(2)16-19;/h4-16H,3H2,1-2H3,(H,24,25);1H/q+1;/p-1