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

Systemtic Name: 4-(3-methoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(3-methoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(3-methoxyphenyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(3-methoxyphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(3-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(=C1)N2C=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

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