6-methylsulfanyl-8-phenyl-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-5-ium

Systemtic Name: 6-methylsulfanyl-8-phenyl-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-5-ium Openeye Name: 5-isopropyl-6-methylsulfanyl-8-phenyl-[1,3]dioxolo[4,5-g]quinazolin-5-ium CAS Name: 6-(methylthio)-8-phenyl-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-5-ium IUPAC Name: 6-methylsulfanyl-8-phenyl-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-5-ium Traditional Name: 5-isopropyl-6-(methylthio)-8-phenyl-[1,3]dioxolo[4,5-g]quinazolin-5-ium Formula: C19H19N2O2S+ MolecularWeight: 339.43136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=C(N=C(C2=CC3=C(C=C21)OCO3)C4=CC=CC=C4)SC

Isomeric SMILES

CC(C)[N+]1=C(N=C(C2=CC3=C(C=C21)OCO3)C4=CC=CC=C4)SC

InChI

InChI=1S/C19H19N2O2S/c1-12(2)21-15-10-17-16(22-11-23-17)9-14(15)18(20-19(21)24-3)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3/q+1