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

Systemtic Name: 1-cyclohexyl-3-(4-ethylphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate Openeye Name: 1-cyclohexyl-3-(4-ethylphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate CAS Name: 1-cyclohexyl-3-(4-ethylphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate IUPAC Name: 1-cyclohexyl-3-(4-ethylphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate Traditional Name: 1-cyclohexyl-3-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)N2C[NH+](CN=C2[S-])C3CCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[NH+](CN=C2[S-])C3CCCCC3

InChI

InChI=1S/C17H25N3S/c1-2-14-8-10-16(11-9-14)20-13-19(12-18-17(20)21)15-6-4-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,18,21)