S-methyl 1,3-diphenyl-2H-quinazolin-3-ium-8-carbothioate

Systemtic Name: S-methyl 1,3-diphenyl-2H-quinazolin-3-ium-8-carbothioate Openeye Name: S-methyl 1,3-diphenyl-2H-quinazolin-3-ium-8-carbothioate CAS Name: 1,3-diphenyl-2H-quinazolin-3-ium-8-carbothioic acid S-methyl ester IUPAC Name: S-methyl 1,3-diphenyl-2H-quinazolin-3-ium-8-carbothioate Traditional Name: 1,3-diphenyl-2H-quinazolin-3-ium-8-carbothioic acid S-methyl ester Formula: C22H19N2OS+ MolecularWeight: 359.46406

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)C1=CC=CC2=C1N(C[N+](=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC(=O)C1=CC=CC2=C1N(C[N+](=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H19N2OS/c1-26-22(25)20-14-8-9-17-15-23(18-10-4-2-5-11-18)16-24(21(17)20)19-12-6-3-7-13-19/h2-15H,16H2,1H3/q+1