2-ethyl-4-methyl-6-methylsulfanyl-3-oxidanidyl-quinazolin-3-ium

Systemtic Name: 2-ethyl-4-methyl-6-methylsulfanyl-3-oxidanidyl-quinazolin-3-ium Openeye Name: 2-ethyl-4-methyl-6-methylsulfanyl-3-oxido-quinazolin-3-ium CAS Name: 2-ethyl-4-methyl-6-(methylthio)-3-oxidoquinazolin-3-ium IUPAC Name: 2-ethyl-4-methyl-6-methylsulfanyl-3-oxidoquinazolin-3-ium Traditional Name: 2-ethyl-4-methyl-6-(methylthio)-3-oxido-quinazolin-3-ium Formula: C12H14N2OS MolecularWeight: 234.31736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2)SC)C(=[N+]1[O-])C

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2)SC)C(=[N+]1[O-])C

InChI

InChI=1S/C12H14N2OS/c1-4-12-13-11-6-5-9(16-3)7-10(11)8(2)14(12)15/h5-7H,4H2,1-3H3