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

Systemtic Name: 5-(4-methylphenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: N,4-diphenyl-5-(p-tolyl)-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-(4-methylphenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-(4-methylphenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: phenyl-[4-phenyl-5-(p-tolyl)-1,3,4-thiadiazol-4-ium-2-yl]amine chloride Formula: C21H18ClN3S MolecularWeight: 379.90572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H18N3S.ClH/c1-16-12-14-17(15-13-16)20-24(19-10-6-3-7-11-19)23-21(25-20)22-18-8-4-2-5-9-18;/h2-15H,1H3,(H,22,23);1H/q+1;/p-1