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

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(2,3-dimethylphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione CAS Name: 1-(2,3-dimethylphenyl)-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-tetrazolethione IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-(2,3-dimethylphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione Formula: C20H25N6S+ MolecularWeight: 381.5177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=S)N(N=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=S)N(N=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C20H24N6S/c1-16-7-6-10-19(17(16)2)26-20(27)25(21-22-26)15-23-11-13-24(14-12-23)18-8-4-3-5-9-18/h3-10H,11-15H2,1-2H3/p+1