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

Systemtic Name: 1-(3-chlorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(3-chlorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]tetrazole-5-thione CAS Name: 1-(3-chlorophenyl)-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-5-tetrazolethione IUPAC Name: 1-(3-chlorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-(3-chlorophenyl)-4-[[4-(2-pyrimidyl)piperazino]methyl]tetrazole-5-thione Formula: C16H17ClN8S MolecularWeight: 388.87778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N(N=N2)C3=CC(=CC=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CN2C(=S)N(N=N2)C3=CC(=CC=C3)Cl)C4=NC=CC=N4

InChI

InChI=1S/C16H17ClN8S/c17-13-3-1-4-14(11-13)25-16(26)24(20-21-25)12-22-7-9-23(10-8-22)15-18-5-2-6-19-15/h1-6,11H,7-10,12H2