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

Systemtic Name: 1-cyclohexyl-3-(2-ethoxyphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate Openeye Name: 1-cyclohexyl-3-(2-ethoxyphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate CAS Name: 1-cyclohexyl-3-(2-ethoxyphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate IUPAC Name: 1-cyclohexyl-3-(2-ethoxyphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate Traditional Name: 1-cyclohexyl-3-o-phenetyl-2,6-dihydro-1H-s-triazin-1-ium-4-thiolate Formula: C17H25N3OS MolecularWeight: 319.4649

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C[NH+](CN=C2[S-])C3CCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1N2C[NH+](CN=C2[S-])C3CCCCC3

InChI

InChI=1S/C17H25N3OS/c1-2-21-16-11-7-6-10-15(16)20-13-19(12-18-17(20)22)14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,18,22)