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

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(2,3-dimethylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]tetrazole-5-thione CAS Name: 1-(2,3-dimethylphenyl)-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-5-tetrazolethione IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-(2,3-dimethylphenyl)-4-[[4-(2-pyrimidyl)piperazino]methyl]tetrazole-5-thione Formula: C18H22N8S MolecularWeight: 382.48588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=S)N(N=N2)CN3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=S)N(N=N2)CN3CCN(CC3)C4=NC=CC=N4)C

InChI

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