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

Systemtic Name: 2-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzhydrylpiperazin-1-yl)methyl]-4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzhydrylpiperazin-1-yl)methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzhydrylpiperazino)methyl]-4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C28H32N6OS MolecularWeight: 500.65828

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN(C1=S)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

COCCN1C(=NN(C1=S)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C28H32N6OS/c1-35-21-20-33-27(25-12-14-29-15-13-25)30-34(28(33)36)22-31-16-18-32(19-17-31)26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,26H,16-22H2,1H3