2,7-dimethyl-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazol-7-ium; 4-methylbenzenesulfonic acid

Systemtic Name: 2,7-dimethyl-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazol-7-ium; 4-methylbenzenesulfonic acid Openeye Name: 2,7-dimethyl-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazol-7-ium; 4-methylbenzenesulfonic acid CAS Name: 2,7-dimethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-7-ium; 4-methylbenzenesulfonic acid IUPAC Name: 2,7-dimethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-7-ium; 4-methylbenzenesulfonic acid Traditional Name: 2,7-dimethyl-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazol-7-ium; tosylic acid Formula: C19H20N3O3S2+ MolecularWeight: 402.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NN2C=C([N+](=C2S1)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NN2C=C([N+](=C2S1)C)C3=CC=CC=C3

InChI

InChI=1S/C12H12N3S.C7H8O3S/c1-9-13-15-8-11(14(2)12(15)16-9)10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-8H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;