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

Systemtic Name: 1-(4-butylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(4-butylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]tetrazole-5-thione CAS Name: 1-(4-butylphenyl)-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-5-tetrazolethione IUPAC Name: 1-(4-butylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-(4-butylphenyl)-4-[[4-(2-pyrimidyl)piperazino]methyl]tetrazole-5-thione Formula: C20H26N8S MolecularWeight: 410.53904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=S)N(N=N2)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=S)N(N=N2)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H26N8S/c1-2-3-5-17-6-8-18(9-7-17)28-20(29)27(23-24-28)16-25-12-14-26(15-13-25)19-21-10-4-11-22-19/h4,6-11H,2-3,5,12-16H2,1H3