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

Systemtic Name: 1-(4-butylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(4-butylphenyl)-4-[[4-(2-pyridyl)piperazin-1-yl]methyl]tetrazole-5-thione CAS Name: 1-(4-butylphenyl)-4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-5-tetrazolethione IUPAC Name: 1-(4-butylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-(4-butylphenyl)-4-[[4-(2-pyridyl)piperazino]methyl]tetrazole-5-thione Formula: C21H27N7S MolecularWeight: 409.55098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7S/c1-2-3-6-18-8-10-19(11-9-18)28-21(29)27(23-24-28)17-25-13-15-26(16-14-25)20-7-4-5-12-22-20/h4-5,7-12H,2-3,6,13-17H2,1H3