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

Systemtic Name: 4-(3-chlorophenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(3-chlorophenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(3-chlorophenyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(3-chlorophenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(3-chlorophenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-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)Cl)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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