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

Systemtic Name: 4-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-4-(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-methylphenyl)-2-(4-morpholin-4-iumylmethyl)-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 4-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-4-(p-tolyl)-1,2,4-triazole-3-thione Formula: C20H23N4OS+ MolecularWeight: 367.48782

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS/c1-16-7-9-18(10-8-16)24-19(17-5-3-2-4-6-17)21-23(20(24)26)15-22-11-13-25-14-12-22/h2-10H,11-15H2,1H3/p+1