3,5-dimethyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-10-ium

Systemtic Name: 3,5-dimethyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-10-ium Openeye Name: 3,5-dimethyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-10-ium CAS Name: 3,5-dimethyl-1-(methylthio)-[1,2,4]triazolo[4,3-a]quinazolin-10-ium IUPAC Name: 3,5-dimethyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-10-ium Traditional Name: 3,5-dimethyl-1-(methylthio)-[1,2,4]triazolo[4,3-a]quinazolin-10-ium Formula: C12H13N4S+ MolecularWeight: 245.32342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=[N+](C3=CC=CC=C13)C(=NN2C)SC

Isomeric SMILES

CC1=NC2=[N+](C3=CC=CC=C13)C(=NN2C)SC

InChI

InChI=1S/C12H13N4S/c1-8-9-6-4-5-7-10(9)16-11(13-8)15(2)14-12(16)17-3/h4-7H,1-3H3/q+1