2-[[4-(4-chloranyl-3-nitro-phenyl)-1,3-thiazol-2-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-[[4-(4-chloranyl-3-nitro-phenyl)-1,3-thiazol-2-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole Openeye Name: 2-[[4-(4-chloro-3-nitro-phenyl)thiazol-2-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole CAS Name: 2-[[4-(4-chloro-3-nitrophenyl)-2-thiazolyl]methylthio]-5-(methylthio)-1,3,4-thiadiazole IUPAC Name: 2-[[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole Traditional Name: 2-[[4-(4-chloro-3-nitro-phenyl)thiazol-2-yl]methylthio]-5-(methylthio)-1,3,4-thiadiazole Formula: C13H9ClN4O2S4 MolecularWeight: 416.94916

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(S1)SCC2=NC(=CS2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN=C(S1)SCC2=NC(=CS2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H9ClN4O2S4/c1-21-12-16-17-13(24-12)23-6-11-15-9(5-22-11)7-2-3-8(14)10(4-7)18(19)20/h2-5H,6H2,1H3