3,4-dimethyl-1H-quinazolin-3-ium-2-thione; 4-methylbenzenesulfonate

Systemtic Name: 3,4-dimethyl-1H-quinazolin-3-ium-2-thione; 4-methylbenzenesulfonate Openeye Name: 3,4-dimethyl-1H-quinazolin-3-ium-2-thione; 4-methylbenzenesulfonate CAS Name: 3,4-dimethyl-1H-quinazolin-3-ium-2-thione; 4-methylbenzenesulfonate IUPAC Name: 3,4-dimethyl-1H-quinazolin-3-ium-2-thione; 4-methylbenzenesulfonate Traditional Name: 3,4-dimethyl-1H-quinazolin-3-ium-2-thione tosylate Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C(=S)NC2=CC=CC=C12)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C(=S)NC2=CC=CC=C12)C

InChI

InChI=1S/C10H10N2S.C7H8O3S/c1-7-8-5-3-4-6-9(8)11-10(13)12(7)2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)