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

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitrobenzamide Traditional Name: 4-methoxy-3-nitro-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzamide Formula: C19H18N4O6S MolecularWeight: 430.43442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6S/c1-27-14-7-5-12(10-13(14)23(25)26)18(24)20-19-22-21-17(30-19)9-11-4-6-15(28-2)16(8-11)29-3/h4-8,10H,9H2,1-3H3,(H,20,22,24)