4-phenethyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-phenethyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-phenethyl-2-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-phenethyl-2-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-phenethyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-phenethyl-2-[[4-(4-pyridylmethyl)piperazino]methyl]-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C26H30N6S2 MolecularWeight: 490.6866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)CN3C(=S)N(C(=N3)CC4=CC=CS4)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)CN3C(=S)N(C(=N3)CC4=CC=CS4)CCC5=CC=CC=C5

InChI

InChI=1S/C26H30N6S2/c33-26-31(13-10-22-5-2-1-3-6-22)25(19-24-7-4-18-34-24)28-32(26)21-30-16-14-29(15-17-30)20-23-8-11-27-12-9-23/h1-9,11-12,18H,10,13-17,19-21H2