4-(phenylmethyl)-2-(piperidin-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-(phenylmethyl)-2-(piperidin-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-(1-piperidylmethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(phenylmethyl)-2-(1-piperidinylmethyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-(piperidin-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-(piperidinomethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C20H23N5S MolecularWeight: 365.49512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N5S/c26-20-24(15-17-8-3-1-4-9-17)19(18-10-7-11-21-14-18)22-25(20)16-23-12-5-2-6-13-23/h1,3-4,7-11,14H,2,5-6,12-13,15-16H2