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

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-5-(2-methoxynaphthalen-1-yl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: N-(2-methoxy-5-methyl-phenyl)-5-(2-methoxy-1-naphthyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: N-(2-methoxy-5-methylphenyl)-5-(2-methoxy-1-naphthalenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: N-(2-methoxy-5-methylphenyl)-5-(2-methoxynaphthalen-1-yl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: (2-methoxy-5-methyl-phenyl)-[5-(2-methoxy-1-naphthyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]amine chloride Formula: C27H24ClN3O2S MolecularWeight: 490.01636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=C(C=CC4=CC=CC=C43)OC)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=N[N+](=C(S2)C3=C(C=CC4=CC=CC=C43)OC)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C27H24N3O2S.ClH/c1-18-13-15-23(31-2)22(17-18)28-27-29-30(20-10-5-4-6-11-20)26(33-27)25-21-12-8-7-9-19(21)14-16-24(25)32-3;/h4-17H,1-3H3,(H,28,29);1H/q+1;/p-1