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

Systemtic Name: S-[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl] 3-nitrobenzenecarbothioate Openeye Name: S-(5-benzyl-1,3,4-oxadiazol-2-yl) 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl] ester IUPAC Name: S-(5-benzyl-1,3,4-oxadiazol-2-yl) 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-(5-benzyl-1,3,4-oxadiazol-2-yl) ester Formula: C16H11N3O4S MolecularWeight: 341.34124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(O2)SC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(O2)SC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O4S/c20-15(12-7-4-8-13(10-12)19(21)22)24-16-18-17-14(23-16)9-11-5-2-1-3-6-11/h1-8,10H,9H2