2-[(4-chlorophenyl)methylsulfonyl]-5-(5-nitrofuran-2-yl)-1,3,4-thiadiazole

Systemtic Name: 2-[(4-chlorophenyl)methylsulfonyl]-5-(5-nitrofuran-2-yl)-1,3,4-thiadiazole Openeye Name: 2-[(4-chlorophenyl)methylsulfonyl]-5-(5-nitro-2-furyl)-1,3,4-thiadiazole CAS Name: 2-[(4-chlorophenyl)methylsulfonyl]-5-(5-nitro-2-furanyl)-1,3,4-thiadiazole IUPAC Name: 2-[(4-chlorophenyl)methylsulfonyl]-5-(5-nitrofuran-2-yl)-1,3,4-thiadiazole Traditional Name: 2-(4-chlorobenzyl)sulfonyl-5-(5-nitro-2-furyl)-1,3,4-thiadiazole Formula: C13H8ClN3O5S2 MolecularWeight: 385.80272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)C2=NN=C(S2)C3=CC=C(O3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)C2=NN=C(S2)C3=CC=C(O3)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H8ClN3O5S2/c14-9-3-1-8(2-4-9)7-24(20,21)13-16-15-12(23-13)10-5-6-11(22-10)17(18)19/h1-6H,7H2