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

Systemtic Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-(5-o-anisyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C17H13N5O6S MolecularWeight: 415.38002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O6S/c1-28-14-5-3-2-4-10(14)8-15-19-20-17(29-15)18-16(23)11-6-12(21(24)25)9-13(7-11)22(26)27/h2-7,9H,8H2,1H3,(H,18,20,23)