2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-(4-methoxyphenyl)-4-o-cumenyl-1,2,4-triazole-3-thione Formula: C25H33N4O2S+ MolecularWeight: 453.62012

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4C(C)C

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4C(C)C

InChI

InChI=1S/C25H32N4O2S/c1-17(2)22-8-6-7-9-23(22)29-24(20-10-12-21(30-5)13-11-20)26-28(25(29)32)16-27-14-18(3)31-19(4)15-27/h6-13,17-19H,14-16H2,1-5H3/p+1/t18-,19-/m0/s1