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

Systemtic Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-chlorobenzyl)piperazino]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione Formula: C18H20ClN5S2 MolecularWeight: 405.9679

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)CN3C(=S)N=C(N3)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)CN3C(=S)N=C(N3)C4=CC=CS4

InChI

InChI=1S/C18H20ClN5S2/c19-15-5-3-14(4-6-15)12-22-7-9-23(10-8-22)13-24-18(25)20-17(21-24)16-2-1-11-26-16/h1-6,11H,7-10,12-13H2,(H,20,21,25)