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

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-5-(4-methylsulfanylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: N-(2-methoxy-5-methyl-phenyl)-5-(4-methylsulfanylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: N-(2-methoxy-5-methylphenyl)-5-[4-(methylthio)phenyl]-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: N-(2-methoxy-5-methylphenyl)-5-(4-methylsulfanylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: (2-methoxy-5-methyl-phenyl)-[5-[4-(methylthio)phenyl]-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]amine chloride Formula: C23H22ClN3OS2 MolecularWeight: 456.02328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=CC=C(C=C3)SC)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=CC=C(C=C3)SC)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C23H22N3OS2.ClH/c1-16-9-14-21(27-2)20(15-16)24-23-25-26(18-7-5-4-6-8-18)22(29-23)17-10-12-19(28-3)13-11-17;/h4-15H,1-3H3,(H,24,25);1H/q+1;/p-1