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

Systemtic Name: 2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-[(5-chloro-2-thienyl)methyl]piperazino]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C18H20ClN5S2 MolecularWeight: 405.9679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)CN3C(=S)N(C=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)CN3C(=S)N(C=N3)C4=CC=CC=C4

InChI

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