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

Systemtic Name: 5-methyl-N-phenyl-4-propan-2-yl-3-[2,4,6-tris(chloranyl)phenyl]-1,3,4-thiadiazol-4-ium-2-imine Openeye Name: 4-isopropyl-5-methyl-N-phenyl-3-(2,4,6-trichlorophenyl)-1,3,4-thiadiazol-4-ium-2-imine CAS Name: 5-methyl-N-phenyl-4-propan-2-yl-3-(2,4,6-trichlorophenyl)-1,3,4-thiadiazol-4-ium-2-imine IUPAC Name: 5-methyl-N-phenyl-4-propan-2-yl-3-(2,4,6-trichlorophenyl)-1,3,4-thiadiazol-4-ium-2-imine Traditional Name: [4-isopropyl-5-methyl-3-(2,4,6-trichlorophenyl)-1,3,4-thiadiazol-4-ium-2-ylidene]-phenyl-amine Formula: C18H17Cl3N3S+ MolecularWeight: 413.77168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N(C(=NC2=CC=CC=C2)S1)C3=C(C=C(C=C3Cl)Cl)Cl)C(C)C

Isomeric SMILES

CC1=[N+](N(C(=NC2=CC=CC=C2)S1)C3=C(C=C(C=C3Cl)Cl)Cl)C(C)C

InChI

InChI=1S/C18H17Cl3N3S/c1-11(2)23-12(3)25-18(22-14-7-5-4-6-8-14)24(23)17-15(20)9-13(19)10-16(17)21/h4-11H,1-3H3/q+1