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

Systemtic Name: 1-cyclohexyl-3-(3-methoxyphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate Openeye Name: 1-cyclohexyl-3-(3-methoxyphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate CAS Name: 1-cyclohexyl-3-(3-methoxyphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate IUPAC Name: 1-cyclohexyl-3-(3-methoxyphenyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-thiolate Traditional Name: 1-cyclohexyl-3-(3-methoxyphenyl)-2,6-dihydro-1H-s-triazin-1-ium-4-thiolate Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C[NH+](CN=C2[S-])C3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)N2C[NH+](CN=C2[S-])C3CCCCC3

InChI

InChI=1S/C16H23N3OS/c1-20-15-9-5-8-14(10-15)19-12-18(11-17-16(19)21)13-6-3-2-4-7-13/h5,8-10,13H,2-4,6-7,11-12H2,1H3,(H,17,21)