1-cyclohexyl-3-(2-methylphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate

Systemtic Name: 1-cyclohexyl-3-(2-methylphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate Openeye Name: 1-cyclohexyl-3-(o-tolyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate CAS Name: 1-cyclohexyl-3-(2-methylphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate IUPAC Name: 1-cyclohexyl-3-(2-methylphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate Traditional Name: 1-cyclohexyl-3-(o-tolyl)-2,6-dihydro-1H-s-triazin-1-ium-4-thiolate Formula: C16H23N3S MolecularWeight: 289.43892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C[NH+](CN=C2[S-])C3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1N2C[NH+](CN=C2[S-])C3CCCCC3

InChI

InChI=1S/C16H23N3S/c1-13-7-5-6-10-15(13)19-12-18(11-17-16(19)20)14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,17,20)