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

Systemtic Name: 1-(4-chlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(4-chlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]tetrazole-5-thione CAS Name: 1-(4-chlorophenyl)-4-[(4-methylsulfonyl-1-piperazinyl)methyl]-5-tetrazolethione IUPAC Name: 1-(4-chlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-(4-chlorophenyl)-4-[(4-mesylpiperazino)methyl]tetrazole-5-thione Formula: C13H17ClN6O2S2 MolecularWeight: 388.89608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CN2C(=S)N(N=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CN2C(=S)N(N=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H17ClN6O2S2/c1-24(21,22)18-8-6-17(7-9-18)10-19-13(23)20(16-15-19)12-4-2-11(14)3-5-12/h2-5H,6-10H2,1H3