5-(3-chlorophenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(3-chlorophenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3-chlorophenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3-chlorophenyl)-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3-chlorophenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3-chlorophenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C19H20ClN4OS+ MolecularWeight: 387.9063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4OS/c20-16-6-4-5-15(13-16)18-21-24(19(26)25-18)14-22-9-11-23(12-10-22)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2/p+1