4-methylbenzenesulfonate; 7-methyl-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazol-7-ium

Systemtic Name: 4-methylbenzenesulfonate; 7-methyl-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazol-7-ium Openeye Name: 4-methylbenzenesulfonate; 7-methyl-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazol-7-ium CAS Name: 4-methylbenzenesulfonate; 7-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-7-ium IUPAC Name: 4-methylbenzenesulfonate; 7-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-7-ium Traditional Name: 7-methyl-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazol-7-ium tosylate Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2N(C=C1C3=CC=CC=C3)N=CS2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2N(C=C1C3=CC=CC=C3)N=CS2

InChI

InChI=1S/C11H10N3S.C7H8O3S/c1-13-10(9-5-3-2-4-6-9)7-14-11(13)15-8-12-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-8H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1