3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-(3-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-(3-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-benzyloxyphenyl)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-4-(3-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-(3-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-benzoxyphenyl)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-1,2,4-triazole-5-thione Formula: C21H27N5OS+2 MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=NNC(=S)N2C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=NNC(=S)N2C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H25N5OS/c1-24-10-12-25(13-11-24)15-20-22-23-21(28)26(20)18-8-5-9-19(14-18)27-16-17-6-3-2-4-7-17/h2-9,14H,10-13,15-16H2,1H3,(H,23,28)/p+2