2-[(4-oxidanylpiperidin-1-yl)methyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[(4-oxidanylpiperidin-1-yl)methyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 2-[(4-hydroxy-1-piperidyl)methyl]-4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidinyl)methyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-hydroxypiperidin-1-yl)methyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 2-[(4-hydroxypiperidino)methyl]-4-phenethyl-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C21H26N4OS2 MolecularWeight: 414.58734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CN2C(=S)N(C(=N2)CC3=CC=CS3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1O)CN2C(=S)N(C(=N2)CC3=CC=CS3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H26N4OS2/c26-18-9-11-23(12-10-18)16-25-21(27)24(13-8-17-5-2-1-3-6-17)20(22-25)15-19-7-4-14-28-19/h1-7,14,18,26H,8-13,15-16H2