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

Systemtic Name: 5-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione Openeye Name: 4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-(4-morpholin-4-iumylmethyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-o-cumenyl-1,2,4-triazole-3-thione Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H28N4O2S/c1-17(2)20-6-4-5-7-21(20)27-22(18-8-10-19(28-3)11-9-18)24-26(23(27)30)16-25-12-14-29-15-13-25/h4-11,17H,12-16H2,1-3H3/p+1