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

Systemtic Name: 4-ethyl-2-[[4-(phenylmethyl)piperidin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzyl-1-piperidyl)methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-(phenylmethyl)-1-piperidinyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperidin-1-yl)methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperidino)methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H27N5S MolecularWeight: 393.54828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCC(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCC(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H27N5S/c1-2-26-21(20-8-12-23-13-9-20)24-27(22(26)28)17-25-14-10-19(11-15-25)16-18-6-4-3-5-7-18/h3-9,12-13,19H,2,10-11,14-17H2,1H3