1-(2-methylphenyl)-5-(phenylsulfonyl)-1,3-diazinane-2-thione

Systemtic Name: 1-(2-methylphenyl)-5-(phenylsulfonyl)-1,3-diazinane-2-thione Openeye Name: 5-(benzenesulfonyl)-1-(o-tolyl)hexahydropyrimidine-2-thione CAS Name: 5-(benzenesulfonyl)-1-(2-methylphenyl)-1,3-diazinane-2-thione IUPAC Name: 5-(benzenesulfonyl)-1-(2-methylphenyl)-1,3-diazinane-2-thione Traditional Name: 5-besyl-1-(o-tolyl)hexahydropyrimidine-2-thione Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC(CNC2=S)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2CC(CNC2=S)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N2O2S2/c1-13-7-5-6-10-16(13)19-12-15(11-18-17(19)22)23(20,21)14-8-3-2-4-9-14/h2-10,15H,11-12H2,1H3,(H,18,22)