2-chloranyl-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-nitro-benzamide CAS Name: 2-chloro-N-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-nitro-benzamide Formula: C16H10ClFN4O3S2 MolecularWeight: 424.857003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)F

InChI

InChI=1S/C16H10ClFN4O3S2/c17-13-6-5-11(22(24)25)7-12(13)14(23)19-15-20-21-16(27-15)26-8-9-1-3-10(18)4-2-9/h1-7H,8H2,(H,19,20,23)