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

Systemtic Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitro-benzamide Formula: C17H13ClN4O4S MolecularWeight: 404.82752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O4S/c1-26-14-7-4-11(9-13(14)22(24)25)16(23)19-17-21-20-15(27-17)8-10-2-5-12(18)6-3-10/h2-7,9H,8H2,1H3,(H,19,21,23)