N-(4-ethylphenyl)-4-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-4-ium-2-amine chloride

Systemtic Name: N-(4-ethylphenyl)-4-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: N-(4-ethylphenyl)-4-methyl-5-(4-pyridyl)-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: N-(4-ethylphenyl)-4-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: N-(4-ethylphenyl)-4-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: (4-ethylphenyl)-[4-methyl-5-(4-pyridyl)-1,3,4-thiadiazol-4-ium-2-yl]amine chloride Formula: C16H17ClN4S MolecularWeight: 332.85098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=NC=C3)C.[Cl-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=NC=C3)C.[Cl-]

InChI

InChI=1S/C16H17N4S.ClH/c1-3-12-4-6-14(7-5-12)18-16-19-20(2)15(21-16)13-8-10-17-11-9-13;/h4-11H,3H2,1-2H3,(H,18,19);1H/q+1;/p-1