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

Systemtic Name: 2-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[2-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[2-(1,3-benzothiazol-2-yl)-1-piperidinyl]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[2-(1,3-benzothiazol-2-yl)piperidino]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H24N6S2 MolecularWeight: 436.59616

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCCCC2C3=NC4=CC=CC=C4S3)C5=CC=NC=C5

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCCCC2C3=NC4=CC=CC=C4S3)C5=CC=NC=C5

InChI

InChI=1S/C22H24N6S2/c1-2-27-20(16-10-12-23-13-11-16)25-28(22(27)29)15-26-14-6-5-8-18(26)21-24-17-7-3-4-9-19(17)30-21/h3-4,7,9-13,18H,2,5-6,8,14-15H2,1H3