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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])F

InChI

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