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

Systemtic Name: 5-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-3H-1,3,4-thiadiazole-2-thione perchlorate Openeye Name: 5-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-3H-1,3,4-thiadiazole-2-thione perchlorate CAS Name: 5-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)-3H-1,3,4-thiadiazole-2-thione perchlorate IUPAC Name: 5-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-3H-1,3,4-thiadiazole-2-thione perchlorate Traditional Name: 5-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-3H-1,3,4-thiadiazole-2-thione perchlorate Formula: C15H14ClN3O4S2 MolecularWeight: 399.87236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=NNC(=S)S2)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=NNC(=S)S2)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C15H13N3S2.ClHO4/c1-10-8-13(12-6-4-3-5-7-12)9-11(2)18(10)14-16-17-15(19)20-14;2-1(3,4)5/h3-9H,1-2H3;(H,2,3,4,5)