4-methyl-2-(methylsulfanylmethyl)-3-oxidanidyl-quinazolin-3-ium

Systemtic Name: 4-methyl-2-(methylsulfanylmethyl)-3-oxidanidyl-quinazolin-3-ium Openeye Name: 4-methyl-2-(methylsulfanylmethyl)-3-oxido-quinazolin-3-ium CAS Name: 4-methyl-2-[(methylthio)methyl]-3-oxidoquinazolin-3-ium IUPAC Name: 4-methyl-2-(methylsulfanylmethyl)-3-oxidoquinazolin-3-ium Traditional Name: 4-methyl-2-[(methylthio)methyl]-3-oxido-quinazolin-3-ium Formula: C11H12N2OS MolecularWeight: 220.29078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC2=CC=CC=C12)CSC)[O-]

Isomeric SMILES

CC1=[N+](C(=NC2=CC=CC=C12)CSC)[O-]

InChI

InChI=1S/C11H12N2OS/c1-8-9-5-3-4-6-10(9)12-11(7-15-2)13(8)14/h3-6H,7H2,1-2H3