4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitro-benzamide Openeye Name: 4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitro-benzamide CAS Name: 4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]-3-nitrobenzamide IUPAC Name: 4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitrobenzamide Traditional Name: 4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]-3-nitro-benzamide Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C17H14N4O4S/c1-9-3-4-12(7-10(9)2)16-19-20-17(25-16)26-14-6-5-11(15(18)22)8-13(14)21(23)24/h3-8H,1-2H3,(H2,18,22)