2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(3-chlorobenzyl)piperazino]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C20H22ClN5S MolecularWeight: 399.94018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Cl)CN3C(=S)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Cl)CN3C(=S)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C20H22ClN5S/c21-18-8-4-5-16(13-18)14-24-9-11-25(12-10-24)15-26-20(27)22-19(23-26)17-6-2-1-3-7-17/h1-8,13H,9-12,14-15H2,(H,22,23,27)