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

Systemtic Name: N-(4-ethylphenyl)-4-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: N-(4-ethylphenyl)-4-methyl-5-(4-pyridyl)-1,3,4-thiadiazol-4-ium-2-amine CAS Name: N-(4-ethylphenyl)-4-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: N-(4-ethylphenyl)-4-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: (4-ethylphenyl)-[4-methyl-5-(4-pyridyl)-1,3,4-thiadiazol-4-ium-2-yl]amine Formula: C16H17N4S+ MolecularWeight: 297.39798

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N4S/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)/q+1