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

Systemtic Name: 4-(4-butylphenyl)-5-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(4-butylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-butylphenyl)-5-(4-methylphenyl)-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(4-butylphenyl)-5-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(4-butylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-(p-tolyl)-1,2,4-triazole-3-thione Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H30N4OS/c1-3-4-5-20-8-12-22(13-9-20)28-23(21-10-6-19(2)7-11-21)25-27(24(28)30)18-26-14-16-29-17-15-26/h6-13H,3-5,14-18H2,1-2H3/p+1