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

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitro-benzamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitro-benzamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitrobenzamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitrobenzamide Traditional Name: 2-methyl-3,5-dinitro-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzamide Formula: C19H17N5O7S MolecularWeight: 459.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O7S/c1-10-13(8-12(23(26)27)9-14(10)24(28)29)18(25)20-19-22-21-17(32-19)7-11-4-5-15(30-2)16(6-11)31-3/h4-6,8-9H,7H2,1-3H3,(H,20,22,25)