5-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione Openeye Name: 4-(2-isopropylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-methylphenyl)-2-(4-morpholin-4-iumylmethyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-4-o-cumenyl-5-(p-tolyl)-1,2,4-triazole-3-thione Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3C(C)C)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3C(C)C)C[NH+]4CCOCC4

InChI

InChI=1S/C23H28N4OS/c1-17(2)20-6-4-5-7-21(20)27-22(19-10-8-18(3)9-11-19)24-26(23(27)29)16-25-12-14-28-15-13-25/h4-11,17H,12-16H2,1-3H3/p+1