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

Systemtic Name: 2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(3-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(=CC=C2)Cl)CN3C(=S)N=C(N3)C4=CC=CS4

Isomeric SMILES

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

InChI

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