(5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-[(4-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: (5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-[(4-fluorophenyl)methyl]-methyl-azanium Openeye Name: (5-ethylsulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl-[(4-fluorophenyl)methyl]-methyl-ammonium CAS Name: (5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-[(4-fluorophenyl)methyl]-methylammonium IUPAC Name: (5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-[(4-fluorophenyl)methyl]-methylazanium Traditional Name: (5-esyl-2-thioxo-1,3-benzoxazol-3-yl)methyl-(4-fluorobenzyl)-methyl-ammonium Formula: C18H20FN2O3S2+ MolecularWeight: 395.491403

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+](C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+](C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN2O3S2/c1-3-26(22,23)15-8-9-17-16(10-15)21(18(25)24-17)12-20(2)11-13-4-6-14(19)7-5-13/h4-10H,3,11-12H2,1-2H3/p+1