3-ethyl-2-methyl-4,5-diphenyl-1,3-thiazol-3-ium; phenylmethanesulfonate

Systemtic Name: 3-ethyl-2-methyl-4,5-diphenyl-1,3-thiazol-3-ium; phenylmethanesulfonate Openeye Name: 3-ethyl-2-methyl-4,5-diphenyl-thiazol-3-ium; phenylmethanesulfonate CAS Name: 3-ethyl-2-methyl-4,5-diphenylthiazol-3-ium; phenylmethanesulfonate IUPAC Name: 3-ethyl-2-methyl-4,5-diphenyl-1,3-thiazol-3-ium; phenylmethanesulfonate Traditional Name: 3-ethyl-2-methyl-4,5-diphenyl-thiazol-3-ium; phenylmethanesulfonate Formula: C25H25NO3S2 MolecularWeight: 451.6009

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C.C1=CC=C(C=C1)CS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C.C1=CC=C(C=C1)CS(=O)(=O)[O-]

InChI

InChI=1S/C18H18NS.C7H8O3S/c1-3-19-14(2)20-18(16-12-8-5-9-13-16)17(19)15-10-6-4-7-11-15;8-11(9,10)6-7-4-2-1-3-5-7/h4-13H,3H2,1-2H3;1-5H,6H2,(H,8,9,10)/q+1;/p-1