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

Systemtic Name: 4-phenyl-5-pyridin-3-yl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-phenyl-5-(3-pyridyl)-2-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-phenyl-5-(3-pyridinyl)-2-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-phenyl-5-pyridin-3-yl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-phenyl-5-(3-pyridyl)-2-[[4-(4-pyridylmethyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C24H25N7S MolecularWeight: 443.5672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N7S/c32-24-30(19-29-15-13-28(14-16-29)18-20-8-11-25-12-9-20)27-23(21-5-4-10-26-17-21)31(24)22-6-2-1-3-7-22/h1-12,17H,13-16,18-19H2