4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-3-oxidanidyl-quinazolin-3-ium

Systemtic Name: 4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-3-oxidanidyl-quinazolin-3-ium Openeye Name: 4-methyl-2-(m-tolylsulfanylmethyl)-3-oxido-quinazolin-3-ium CAS Name: 4-methyl-2-[[(3-methylphenyl)thio]methyl]-3-oxidoquinazolin-3-ium IUPAC Name: 4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-3-oxidoquinazolin-3-ium Traditional Name: 4-methyl-2-[(m-tolylthio)methyl]-3-oxido-quinazolin-3-ium Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCC2=NC3=CC=CC=C3C(=[N+]2[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)SCC2=NC3=CC=CC=C3C(=[N+]2[O-])C

InChI

InChI=1S/C17H16N2OS/c1-12-6-5-7-14(10-12)21-11-17-18-16-9-4-3-8-15(16)13(2)19(17)20/h3-10H,11H2,1-2H3