5-chloranyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 5-chloranyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole-2-thione Openeye Name: 5-chloro-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole-2-thione CAS Name: 5-chloro-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 5-chloro-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole-2-thione Traditional Name: 5-chloro-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Formula: C16H17ClN5S2+ MolecularWeight: 378.92268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)Cl)SC2=S)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)Cl)SC2=S)C4=NC=CC=N4

InChI

InChI=1S/C16H16ClN5S2/c17-12-2-3-14-13(10-12)22(16(23)24-14)11-20-6-8-21(9-7-20)15-18-4-1-5-19-15/h1-5,10H,6-9,11H2/p+1