2-[(4-phenethylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[(4-phenethylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-phenethyl-1-piperidyl)methyl]-5-(3-pyridyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[(4-phenethyl-1-piperidinyl)methyl]-5-(3-pyridinyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-phenethylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-phenethylpiperidino)methyl]-5-(3-pyridyl)-1H-1,2,4-triazole-3-thione Formula: C21H25N5S MolecularWeight: 379.5217

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CC=CC=C2)CN3C(=S)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1CCC2=CC=CC=C2)CN3C(=S)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C21H25N5S/c27-21-23-20(19-7-4-12-22-15-19)24-26(21)16-25-13-10-18(11-14-25)9-8-17-5-2-1-3-6-17/h1-7,12,15,18H,8-11,13-14,16H2,(H,23,24,27)