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

Systemtic Name: 1-cyclopentyl-3-(2-methylphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate Openeye Name: 1-cyclopentyl-3-(o-tolyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate CAS Name: 1-cyclopentyl-3-(2-methylphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate IUPAC Name: 1-cyclopentyl-3-(2-methylphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate Traditional Name: 1-cyclopentyl-3-(o-tolyl)-2,6-dihydro-1H-s-triazin-1-ium-4-thiolate Formula: C15H21N3S MolecularWeight: 275.41234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C[NH+](CN=C2[S-])C3CCCC3

Isomeric SMILES

CC1=CC=CC=C1N2C[NH+](CN=C2[S-])C3CCCC3

InChI

InChI=1S/C15H21N3S/c1-12-6-2-5-9-14(12)18-11-17(10-16-15(18)19)13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3,(H,16,19)