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

Systemtic Name: 5-(3-chloranyl-1-benzothiophen-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3-chlorobenzothiophen-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3-chloro-1-benzothiophen-2-yl)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3-chloro-1-benzothiophen-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3-chlorobenzothiophen-2-yl)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Formula: C19H18ClN6OS2+ MolecularWeight: 445.96882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=C(C4=CC=CC=C4S3)Cl)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=C(C4=CC=CC=C4S3)Cl)C5=NC=CC=N5

InChI

InChI=1S/C19H17ClN6OS2/c20-15-13-4-1-2-5-14(13)29-16(15)17-23-26(19(28)27-17)12-24-8-10-25(11-9-24)18-21-6-3-7-22-18/h1-7H,8-12H2/p+1