5-(4-methyl-2,6-diphenyl-pyridin-1-ium-1-yl)-3H-1,3,4-thiadiazole-2-thione perchlorate

Systemtic Name: 5-(4-methyl-2,6-diphenyl-pyridin-1-ium-1-yl)-3H-1,3,4-thiadiazole-2-thione perchlorate Openeye Name: 5-(4-methyl-2,6-diphenyl-pyridin-1-ium-1-yl)-3H-1,3,4-thiadiazole-2-thione perchlorate CAS Name: 5-(4-methyl-2,6-diphenyl-1-pyridin-1-iumyl)-3H-1,3,4-thiadiazole-2-thione perchlorate IUPAC Name: 5-(4-methyl-2,6-diphenylpyridin-1-ium-1-yl)-3H-1,3,4-thiadiazole-2-thione perchlorate Traditional Name: 5-(4-methyl-2,6-diphenyl-pyridin-1-ium-1-yl)-3H-1,3,4-thiadiazole-2-thione perchlorate Formula: C20H16ClN3O4S2 MolecularWeight: 461.94174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C2=CC=CC=C2)C3=NNC(=S)S3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C2=CC=CC=C2)C3=NNC(=S)S3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H15N3S2.ClHO4/c1-14-12-17(15-8-4-2-5-9-15)23(19-21-22-20(24)25-19)18(13-14)16-10-6-3-7-11-16;2-1(3,4)5/h2-13H,1H3;(H,2,3,4,5)