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

Systemtic Name: 2-ethylsulfanyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2-ethylsulfanyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-(ethylthio)-5-[(2-methyl-3-nitrophenyl)methylthio]-1,3,4-thiadiazole IUPAC Name: 2-ethylsulfanyl-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-(ethylthio)-5-[(2-methyl-3-nitro-benzyl)thio]-1,3,4-thiadiazole Formula: C12H13N3O2S3 MolecularWeight: 327.44552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2S3/c1-3-18-11-13-14-12(20-11)19-7-9-5-4-6-10(8(9)2)15(16)17/h4-6H,3,7H2,1-2H3