2-[(2,5-dimethylphenyl)methylsulfanyl]-5-(5-nitrofuran-2-yl)-1,3,4-thiadiazole

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-(5-nitrofuran-2-yl)-1,3,4-thiadiazole Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-(5-nitro-2-furyl)-1,3,4-thiadiazole CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-5-(5-nitro-2-furanyl)-1,3,4-thiadiazole IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-(5-nitrofuran-2-yl)-1,3,4-thiadiazole Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-5-(5-nitro-2-furyl)-1,3,4-thiadiazole Formula: C15H13N3O3S2 MolecularWeight: 347.41202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(S2)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(S2)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O3S2/c1-9-3-4-10(2)11(7-9)8-22-15-17-16-14(23-15)12-5-6-13(21-12)18(19)20/h3-7H,8H2,1-2H3