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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

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