5-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione Openeye Name: 4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(2-propan-2-ylphenyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-methoxyphenyl)-4-o-cumenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C29H34N5OS+ MolecularWeight: 500.67816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H33N5OS/c1-22(2)26-11-7-8-12-27(26)34-28(23-13-15-25(35-3)16-14-23)30-33(29(34)36)21-31-17-19-32(20-18-31)24-9-5-4-6-10-24/h4-16,22H,17-21H2,1-3H3/p+1