2-ethylsulfanyl-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazole

Systemtic Name: 2-ethylsulfanyl-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2-ethylsulfanyl-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-(ethylthio)-5-[(2-methoxy-5-nitrophenyl)methylthio]-1,3,4-thiadiazole IUPAC Name: 2-ethylsulfanyl-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-(ethylthio)-5-[(2-methoxy-5-nitro-benzyl)thio]-1,3,4-thiadiazole Formula: C12H13N3O3S3 MolecularWeight: 343.44492

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)SCC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCSC1=NN=C(S1)SCC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C12H13N3O3S3/c1-3-19-11-13-14-12(21-11)20-7-8-6-9(15(16)17)4-5-10(8)18-2/h4-6H,3,7H2,1-2H3