3-ethyl-2-methyl-[1]benzothiolo[2,3-d][1,3]thiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-ethyl-2-methyl-[1]benzothiolo[2,3-d][1,3]thiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-ethyl-2-methyl-benzothiopheno[2,3-d]thiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-ethyl-2-methyl-[1]benzothiolo[2,3-d]thiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-ethyl-2-methyl-[1]benzothiolo[2,3-d][1,3]thiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-ethyl-2-methyl-benzothiopheno[2,3-d]thiazol-3-ium tosylate Formula: C19H19NO3S3 MolecularWeight: 405.55406

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1SC3=CC=CC=C32)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=C1SC3=CC=CC=C32)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H12NS2.C7H8O3S/c1-3-13-8(2)14-11-9-6-4-5-7-10(9)15-12(11)13;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1