2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-3-[(phenylmethyl)amino]-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-3-[(phenylmethyl)amino]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(benzylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-3-thioxo-prop-1-en-1-olate CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(4-fluorophenyl)-3-[(phenylmethyl)amino]-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(benzylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(benzylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-3-thioxo-prop-1-en-1-olate Formula: C25H25FN2OS MolecularWeight: 420.542203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C(=C(C2=CC=C(C=C2)F)[O-])C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C(=C(C2=CC=C(C=C2)F)[O-])C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C25H25FN2OS/c1-25(2,3)20-13-15-28(16-14-20)22(23(29)19-9-11-21(26)12-10-19)24(30)27-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H-,27,29,30)