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

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide Traditional Name: 2-nitro-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzamide Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C18H16N4O5S/c1-26-14-8-7-11(9-15(14)27-2)10-16-20-21-18(28-16)19-17(23)12-5-3-4-6-13(12)22(24)25/h3-9H,10H2,1-2H3,(H,19,21,23)