4-[2,3-bis(chloranyl)phenyl]-5-(4-tert-butylphenyl)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-[2,3-bis(chloranyl)phenyl]-5-(4-tert-butylphenyl)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-tert-butylphenyl)-4-(2,3-dichlorophenyl)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-tert-butylphenyl)-4-(2,3-dichlorophenyl)-2-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-tert-butylphenyl)-4-(2,3-dichlorophenyl)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-tert-butylphenyl)-4-(2,3-dichlorophenyl)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1,2,4-triazole-3-thione Formula: C25H31Cl2N4OS+ MolecularWeight: 506.51084

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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)C(C)(C)C)C4=C(C(=CC=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H30Cl2N4OS/c1-16-13-29(14-17(2)32-16)15-30-24(33)31(21-8-6-7-20(26)22(21)27)23(28-30)18-9-11-19(12-10-18)25(3,4)5/h6-12,16-17H,13-15H2,1-5H3/p+1/t16-,17-/m0/s1