S-[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl] 4-nitrobenzenecarbothioate

Systemtic Name: S-[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl] 4-nitrobenzenecarbothioate Openeye Name: S-[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl] 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl] ester IUPAC Name: S-[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl] 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-[5-(4-chlorobenzyl)-1,3,4-oxadiazol-2-yl] ester Formula: C16H10ClN3O4S MolecularWeight: 375.7863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NN=C(O2)SC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=NN=C(O2)SC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H10ClN3O4S/c17-12-5-1-10(2-6-12)9-14-18-19-16(24-14)25-15(21)11-3-7-13(8-4-11)20(22)23/h1-8H,9H2