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

Systemtic Name: 2-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-methoxy-5-methyl-benzyl)piperazino]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=NC=C4)C

InChI

InChI=1S/C22H28N6OS/c1-17-4-5-20(29-3)19(14-17)15-26-10-12-27(13-11-26)16-28-22(30)25(2)21(24-28)18-6-8-23-9-7-18/h4-9,14H,10-13,15-16H2,1-3H3