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

Systemtic Name: N-[5-[(4-chloranylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitro-benzamide Openeye Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitro-benzamide CAS Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitrobenzamide IUPAC Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitrobenzamide Traditional Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitro-benzamide Formula: C17H12ClN5O6S MolecularWeight: 449.82508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN5O6S/c1-9-13(6-11(22(25)26)7-14(9)23(27)28)16(24)19-17-21-20-15(30-17)8-29-12-4-2-10(18)3-5-12/h2-7H,8H2,1H3,(H,19,21,24)