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

Systemtic Name: N-[5-[(4-chloranylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide Formula: C16H10ClN5O6S MolecularWeight: 435.7985

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1OCC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C16H10ClN5O6S/c17-10-1-3-13(4-2-10)28-8-14-19-20-16(29-14)18-15(23)9-5-11(21(24)25)7-12(6-9)22(26)27/h1-7H,8H2,(H,18,20,23)