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

Systemtic Name: 5-(4-methylsulfanylphenyl)-N-naphthalen-1-yl-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(4-methylsulfanylphenyl)-N-(1-naphthyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-[4-(methylthio)phenyl]-N-(1-naphthalenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-(4-methylsulfanylphenyl)-N-naphthalen-1-yl-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [5-[4-(methylthio)phenyl]-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-(1-naphthyl)amine chloride Formula: C25H20ClN3S2 MolecularWeight: 462.0294

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CSC1=CC=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C25H20N3S2.ClH/c1-29-21-16-14-19(15-17-21)24-28(20-10-3-2-4-11-20)27-25(30-24)26-23-13-7-9-18-8-5-6-12-22(18)23;/h2-17H,1H3,(H,26,27);1H/q+1;/p-1