3-[(2-chlorophenyl)methyl]-4-(2-piperidin-1-ylethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2-chlorophenyl)methyl]-4-(2-piperidin-1-ylethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-chlorophenyl)methyl]-4-[2-(1-piperidyl)ethyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-chlorophenyl)methyl]-4-[2-(1-piperidinyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-chlorophenyl)methyl]-4-(2-piperidin-1-ylethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2-chlorobenzyl)-4-(2-piperidinoethyl)-1H-1,2,4-triazole-5-thione Formula: C16H21ClN4S MolecularWeight: 336.88274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2C(=NNC2=S)CC3=CC=CC=C3Cl

Isomeric SMILES

C1CCN(CC1)CCN2C(=NNC2=S)CC3=CC=CC=C3Cl

InChI

InChI=1S/C16H21ClN4S/c17-14-7-3-2-6-13(14)12-15-18-19-16(22)21(15)11-10-20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-12H2,(H,19,22)