3-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-1,3,4-thiadiazole-2-thione Formula: C13H14ClN5O2S2 MolecularWeight: 371.86556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)SC=N2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C(=S)SC=N2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H14ClN5O2S2/c14-10-1-2-11(12(7-10)19(20)21)17-5-3-16(4-6-17)9-18-13(22)23-8-15-18/h1-2,7-8H,3-6,9H2