5-(4-tert-butylphenyl)-4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-tert-butylphenyl)-4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-tert-butylphenyl)-4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-tert-butylphenyl)-4-methyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-tert-butylphenyl)-4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-tert-butylphenyl)-4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C24H32N5S+ MolecularWeight: 422.60938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N5S/c1-24(2,3)20-12-10-19(11-13-20)22-25-29(23(30)26(22)4)18-27-14-16-28(17-15-27)21-8-6-5-7-9-21/h5-13H,14-18H2,1-4H3/p+1