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

Systemtic Name: 1-(3-chlorophenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(3-chlorophenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione CAS Name: 1-(3-chlorophenyl)-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-tetrazolethione IUPAC Name: 1-(3-chlorophenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-(3-chlorophenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione Formula: C18H20ClN6S+ MolecularWeight: 387.9096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN6S/c19-15-5-4-8-17(13-15)25-18(26)24(20-21-25)14-22-9-11-23(12-10-22)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2/p+1