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

Systemtic Name: 2-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzhydrylpiperazin-1-yl)methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzhydrylpiperazin-1-yl)methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzhydrylpiperazino)methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C26H28N6S MolecularWeight: 456.60572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C26H28N6S/c1-29-25(23-12-14-27-15-13-23)28-32(26(29)33)20-30-16-18-31(19-17-30)24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,24H,16-20H2,1H3