4,5-diphenyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4,5-diphenyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-4,5-diphenyl-1,2,4-triazole-3-thione CAS Name: 4,5-diphenyl-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-4,5-diphenyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperazino)methyl]-4,5-diphenyl-1,2,4-triazole-3-thione Formula: C26H27N5S MolecularWeight: 441.59108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N5S/c32-26-30(21-29-18-16-28(17-19-29)20-22-10-4-1-5-11-22)27-25(23-12-6-2-7-13-23)31(26)24-14-8-3-9-15-24/h1-15H,16-21H2