5-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[2-(2,4,6-triphenyl-1-pyridin-1-iumyl)ethyl]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]amine Formula: C27H23N4S+ MolecularWeight: 435.56332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCC4=NN=C(S4)N)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCC4=NN=C(S4)N)C5=CC=CC=C5

InChI

InChI=1S/C27H23N4S/c28-27-30-29-26(32-27)16-17-31-24(21-12-6-2-7-13-21)18-23(20-10-4-1-5-11-20)19-25(31)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2,(H2,28,30)/q+1