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

Systemtic Name: 5-(2-methylphenyl)-4-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-5-(o-tolyl)-4-(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 5-(2-methylphenyl)-4-(4-methylphenyl)-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(2-methylphenyl)-4-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-5-(o-tolyl)-4-(p-tolyl)-1,2,4-triazole-3-thione Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=CC=C4C

InChI

InChI=1S/C21H24N4OS/c1-16-7-9-18(10-8-16)25-20(19-6-4-3-5-17(19)2)22-24(21(25)27)15-23-11-13-26-14-12-23/h3-10H,11-15H2,1-2H3/p+1