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

Systemtic Name: N-(4-ethylphenyl)-5-(4-methylsulfanylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: N-(4-ethylphenyl)-5-(4-methylsulfanylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: N-(4-ethylphenyl)-5-[4-(methylthio)phenyl]-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: N-(4-ethylphenyl)-5-(4-methylsulfanylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: (4-ethylphenyl)-[5-[4-(methylthio)phenyl]-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]amine Formula: C23H22N3S2+ MolecularWeight: 404.57088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)SC)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)SC)C4=CC=CC=C4

InChI

InChI=1S/C23H22N3S2/c1-3-17-9-13-19(14-10-17)24-23-25-26(20-7-5-4-6-8-20)22(28-23)18-11-15-21(27-2)16-12-18/h4-16H,3H2,1-2H3,(H,24,25)/q+1