N-methyl-5-propan-2-yl-3-[2,4,6-tris(chloranyl)phenyl]-1,3,4-thiadiazol-3-ium-2-amine

Systemtic Name: N-methyl-5-propan-2-yl-3-[2,4,6-tris(chloranyl)phenyl]-1,3,4-thiadiazol-3-ium-2-amine Openeye Name: 5-isopropyl-N-methyl-3-(2,4,6-trichlorophenyl)-1,3,4-thiadiazol-3-ium-2-amine CAS Name: N-methyl-5-propan-2-yl-3-(2,4,6-trichlorophenyl)-1,3,4-thiadiazol-3-ium-2-amine IUPAC Name: N-methyl-5-propan-2-yl-3-(2,4,6-trichlorophenyl)-1,3,4-thiadiazol-3-ium-2-amine Traditional Name: [5-isopropyl-3-(2,4,6-trichlorophenyl)-1,3,4-thiadiazol-3-ium-2-yl]-methyl-amine Formula: C12H13Cl3N3S+ MolecularWeight: 337.67572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=N[N+](=C(S1)NC)C2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CC(C)C1=N[N+](=C(S1)NC)C2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C12H12Cl3N3S/c1-6(2)11-17-18(12(16-3)19-11)10-8(14)4-7(13)5-9(10)15/h4-6H,1-3H3/p+1