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

Systemtic Name: 5-methyl-4-(phenylmethyl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-methyl-2-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(phenylmethyl)-2-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-methyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-methyl-2-[[4-(4-pyridylmethyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C21H26N6S MolecularWeight: 394.53634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C21H26N6S/c1-18-23-27(21(28)26(18)16-19-5-3-2-4-6-19)17-25-13-11-24(12-14-25)15-20-7-9-22-10-8-20/h2-10H,11-17H2,1H3