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

Systemtic Name: 1-(2-methoxy-5-methyl-phenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(2-methoxy-5-methyl-phenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]tetrazole-5-thione CAS Name: 1-(2-methoxy-5-methylphenyl)-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-5-tetrazolethione IUPAC Name: 1-(2-methoxy-5-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-(2-methoxy-5-methyl-phenyl)-4-[[4-(2-pyrimidyl)piperazino]methyl]tetrazole-5-thione Formula: C18H22N8OS MolecularWeight: 398.48528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N8OS/c1-14-4-5-16(27-2)15(12-14)26-18(28)25(21-22-26)13-23-8-10-24(11-9-23)17-19-6-3-7-20-17/h3-7,12H,8-11,13H2,1-2H3