2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole Openeye Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]-5-(propylthio)-1,3,4-thiadiazole IUPAC Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]-5-(propylthio)-1,3,4-thiadiazole Formula: C12H13N3O4S4 MolecularWeight: 391.50932

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCSC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S4/c1-3-6-20-11-13-14-12(22-11)21-10-5-4-8(23(2,18)19)7-9(10)15(16)17/h4-5,7H,3,6H2,1-2H3