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

Systemtic Name: 1-cyclohexyl-3-(2,3-dimethylphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate Openeye Name: 1-cyclohexyl-3-(2,3-dimethylphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate CAS Name: 1-cyclohexyl-3-(2,3-dimethylphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate IUPAC Name: 1-cyclohexyl-3-(2,3-dimethylphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate Traditional Name: 1-cyclohexyl-3-(2,3-dimethylphenyl)-2,6-dihydro-1H-s-triazin-1-ium-4-thiolate Formula: C17H25N3S MolecularWeight: 303.4655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C[NH+](CN=C2[S-])C3CCCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C[NH+](CN=C2[S-])C3CCCCC3)C

InChI

InChI=1S/C17H25N3S/c1-13-7-6-10-16(14(13)2)20-12-19(11-18-17(20)21)15-8-4-3-5-9-15/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3,(H,18,21)