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

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitro-benzamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitro-benzamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide Traditional Name: 3-methyl-2-nitro-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzamide Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H18N4O5S/c1-11-5-4-6-13(17(11)23(25)26)18(24)20-19-22-21-16(29-19)10-12-7-8-14(27-2)15(9-12)28-3/h4-9H,10H2,1-3H3,(H,20,22,24)