5-(4-ethylphenyl)-2-[[4-(phenylmethyl)piperidin-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-ethylphenyl)-2-[[4-(phenylmethyl)piperidin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzyl-1-piperidyl)methyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-ethylphenyl)-2-[[4-(phenylmethyl)-1-piperidinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperidin-1-yl)methyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperidino)methyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole-3-thione Formula: C23H28N4S MolecularWeight: 392.56022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4S/c1-2-18-8-10-21(11-9-18)22-24-23(28)27(25-22)17-26-14-12-20(13-15-26)16-19-6-4-3-5-7-19/h3-11,20H,2,12-17H2,1H3,(H,24,25,28)