2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-[[2-(4-methoxyphenyl)thiazol-4-yl]methylsulfanyl]-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 2-[[2-(4-methoxyphenyl)-4-thiazolyl]methylthio]-3-(4-methyl-2-pyridinyl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-[[2-(4-methoxyphenyl)thiazol-4-yl]methylthio]-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C25H21N4O2S2+ MolecularWeight: 473.58984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC4=CSC(=N4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC4=CSC(=N4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C25H20N4O2S2/c1-16-11-12-26-22(13-16)29-24(30)20-5-3-4-6-21(20)28-25(29)33-15-18-14-32-23(27-18)17-7-9-19(31-2)10-8-17/h3-14H,15H2,1-2H3/p+1