3-(4-methylpyridin-2-yl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-quinazolin-3-ium-4-one

Systemtic Name: 3-(4-methylpyridin-2-yl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-quinazolin-3-ium-4-one Openeye Name: 2-[(E)-cinnamyl]sulfanyl-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 3-(4-methyl-2-pyridinyl)-2-[[(E)-3-phenylprop-2-enyl]thio]-1H-quinazolin-3-ium-4-one IUPAC Name: 3-(4-methylpyridin-2-yl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-quinazolin-3-ium-4-one Traditional Name: 2-[[(E)-cinnamyl]thio]-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C23H20N3OS+ MolecularWeight: 386.4894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SC/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H19N3OS/c1-17-13-14-24-21(16-17)26-22(27)19-11-5-6-12-20(19)25-23(26)28-15-7-10-18-8-3-2-4-9-18/h2-14,16H,15H2,1H3/p+1/b10-7+