(E)-1-(3,4-dimethylphenyl)-3-(oxolan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(3,4-dimethylphenyl)-3-(oxolan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-(tetrahydrofuran-2-ylmethylamino)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(3,4-dimethylphenyl)-3-(2-oxolanylmethylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(3,4-dimethylphenyl)-3-(oxolan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-(tetrahydrofurfurylamino)-3-thioxo-prop-1-en-1-olate Formula: C21H24N2O2S MolecularWeight: 368.49246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=C(C(=S)NCC2CCCO2)[N+]3=CC=CC=C3)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=C(/C(=S)NCC2CCCO2)\[N+]3=CC=CC=C3)/[O-])C

InChI

InChI=1S/C21H24N2O2S/c1-15-8-9-17(13-16(15)2)20(24)19(23-10-4-3-5-11-23)21(26)22-14-18-7-6-12-25-18/h3-5,8-11,13,18H,6-7,12,14H2,1-2H3,(H-,22,24,26)