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

Systemtic Name: 4-(phenylmethyl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-(phenylmethyl)-2-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[[4-(4-pyridylmethyl)piperazino]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C24H26N6S2 MolecularWeight: 462.63344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)CN3C(=S)N(C(=N3)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)CN3C(=S)N(C(=N3)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C24H26N6S2/c31-24-29(18-20-5-2-1-3-6-20)23(22-7-4-16-32-22)26-30(24)19-28-14-12-27(13-15-28)17-21-8-10-25-11-9-21/h1-11,16H,12-15,17-19H2