4-(7H-imidazo[2,1-b][1,3]thiazol-4-ium-2-yl)benzaldehyde; 4-methylbenzenesulfonate

Systemtic Name: 4-(7H-imidazo[2,1-b][1,3]thiazol-4-ium-2-yl)benzaldehyde; 4-methylbenzenesulfonate Openeye Name: 4-(7H-imidazo[2,1-b]thiazol-4-ium-2-yl)benzaldehyde; 4-methylbenzenesulfonate CAS Name: 4-(7H-imidazo[2,1-b]thiazol-4-ium-2-yl)benzaldehyde; 4-methylbenzenesulfonate IUPAC Name: 4-(7H-imidazo[2,1-b][1,3]thiazol-4-ium-2-yl)benzaldehyde; 4-methylbenzenesulfonate Traditional Name: 4-(7H-imidazo[2,1-b]thiazol-4-ium-2-yl)benzaldehyde tosylate Formula: C19H16N2O4S2 MolecularWeight: 400.47134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1C=O)C2=C[N+]3=C(S2)NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1C=O)C2=C[N+]3=C(S2)NC=C3

InChI

InChI=1S/C12H8N2OS.C7H8O3S/c15-8-9-1-3-10(4-2-9)11-7-14-6-5-13-12(14)16-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H;2-5H,1H3,(H,8,9,10)