3-ethyl-2,5,6-trimethyl-thieno[2,3-d][1,3]thiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-ethyl-2,5,6-trimethyl-thieno[2,3-d][1,3]thiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-ethyl-2,5,6-trimethyl-thieno[2,3-d]thiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-ethyl-2,5,6-trimethylthieno[2,3-d]thiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-ethyl-2,5,6-trimethyl-thieno[2,3-d]thiazol-3-ium tosylate Formula: C17H21NO3S3 MolecularWeight: 383.54854

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1SC(=C2C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=C1SC(=C2C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H14NS2.C7H8O3S/c1-5-11-8(4)13-9-6(2)7(3)12-10(9)11;1-6-2-4-7(5-3-6)11(8,9)10/h5H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1