3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C13H16ClN4S2+ MolecularWeight: 327.87594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)SC=N2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)SC=N2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C13H15ClN4S2/c14-11-2-1-3-12(8-11)17-6-4-16(5-7-17)10-18-13(19)20-9-15-18/h1-3,8-9H,4-7,10H2/p+1