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

Systemtic Name: 4-(3-methylphenyl)-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(m-tolyl)-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(3-methylphenyl)-5-phenyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(3-methylphenyl)-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(m-tolyl)-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C21H25N4S+ MolecularWeight: 365.515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN(C2=S)C[NH+]3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN(C2=S)C[NH+]3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4S/c1-17-9-8-12-19(15-17)25-20(18-10-4-2-5-11-18)22-24(21(25)26)16-23-13-6-3-7-14-23/h2,4-5,8-12,15H,3,6-7,13-14,16H2,1H3/p+1