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

Systemtic Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitro-benzamide Openeye Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitro-benzamide CAS Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitrobenzamide IUPAC Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitrobenzamide Traditional Name: N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitro-benzamide Formula: C17H12ClN5O5S MolecularWeight: 433.82568

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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)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN5O5S/c1-9-13(7-12(22(25)26)8-14(9)23(27)28)16(24)19-17-21-20-15(29-17)6-10-2-4-11(18)5-3-10/h2-5,7-8H,6H2,1H3,(H,19,21,24)