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

Systemtic Name: N-[5-[(4-chloranylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitro-benzamide Formula: C17H13ClN4O5S MolecularWeight: 420.82692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O5S/c1-26-14-7-2-10(8-13(14)22(24)25)16(23)19-17-21-20-15(28-17)9-27-12-5-3-11(18)4-6-12/h2-8H,9H2,1H3,(H,19,21,23)