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

Systemtic Name: 5-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-isopropyl-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-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-isopropyl-5-(4-methoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C23H30N5OS+ MolecularWeight: 424.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)N1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H29N5OS/c1-18(2)28-22(19-9-11-21(29-3)12-10-19)24-27(23(28)30)17-25-13-15-26(16-14-25)20-7-5-4-6-8-20/h4-12,18H,13-17H2,1-3H3/p+1