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

Systemtic Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(1,3-benzoxazol-2-yl)-1-piperidyl]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidino]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCC(CC2)C3=NC4=CC=CC=C4O3)C5=CC=NC=C5

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCC(CC2)C3=NC4=CC=CC=C4O3)C5=CC=NC=C5

InChI

InChI=1S/C22H24N6OS/c1-2-27-20(16-7-11-23-12-8-16)25-28(22(27)30)15-26-13-9-17(10-14-26)21-24-18-5-3-4-6-19(18)29-21/h3-8,11-12,17H,2,9-10,13-15H2,1H3