1-[(2S)-2-ethylhexyl]-3-phenyl-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-phenyl-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate Openeye Name: 1-[(2S)-2-ethylhexyl]-3-phenyl-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate CAS Name: 1-[(2S)-2-ethylhexyl]-3-phenyl-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-phenyl-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate Traditional Name: 1-[(2S)-2-ethylhexyl]-3-phenyl-2,6-dihydro-1H-s-triazin-1-ium-4-thiolate Formula: C17H27N3S MolecularWeight: 305.48138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH+]1CN=C(N(C1)C2=CC=CC=C2)[S-]

Isomeric SMILES

CCCC[C@H](CC)C[NH+]1CN=C(N(C1)C2=CC=CC=C2)[S-]

InChI

InChI=1S/C17H27N3S/c1-3-5-9-15(4-2)12-19-13-18-17(21)20(14-19)16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,18,21)/t15-/m0/s1