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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)SC2=NN=C(O2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)SC2=NN=C(O2)CC3=CC=C(C=C3)Cl

InChI

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