2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-p-anisylpiperazino)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)CN3C(=S)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)CN3C(=S)N=C(N3)C4=CC=CC=C4

InChI

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