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

Systemtic Name: 1-(3,5-dimethylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(3,5-dimethylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione CAS Name: 1-(3,5-dimethylphenyl)-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-5-tetrazolethione IUPAC Name: 1-(3,5-dimethylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-(3,5-dimethylphenyl)-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]tetrazole-5-thione Formula: C18H23N8S+ MolecularWeight: 383.49382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=S)N(N=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=S)N(N=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C18H22N8S/c1-14-10-15(2)12-16(11-14)26-18(27)25(21-22-26)13-23-6-8-24(9-7-23)17-19-4-3-5-20-17/h3-5,10-12H,6-9,13H2,1-2H3/p+1