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

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C19H21ClN5S+ MolecularWeight: 386.92154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)N(C=N2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)N(C=N2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H20ClN5S/c20-16-5-4-8-18(13-16)23-11-9-22(10-12-23)15-25-19(26)24(14-21-25)17-6-2-1-3-7-17/h1-8,13-14H,9-12,15H2/p+1