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

Systemtic Name: 4-(2-methoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(2-methoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2-methoxyphenyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(2-methoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C20H24N5OS+ MolecularWeight: 382.50246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2C=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5OS/c1-26-19-10-6-5-9-18(19)24-15-21-25(20(24)27)16-22-11-13-23(14-12-22)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3/p+1