2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C18H24N4OS/c1-4-10-21-17(16-8-6-5-7-9-16)19-22(18(21)24)13-20-11-14(2)23-15(3)12-20/h4-9,14-15H,1,10-13H2,2-3H3/p+1/t14-,15-/m0/s1