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

Systemtic Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H14N4O5S/c1-25-13-7-6-11(9-14(13)26-2)16-19-20-17(27-16)18-15(22)10-4-3-5-12(8-10)21(23)24/h3-9H,1-2H3,(H,18,20,22)