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

Systemtic Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide Formula: C18H15ClN4O5S MolecularWeight: 434.8535

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O5S/c1-27-14-8-12(13(23(25)26)9-15(14)28-2)17(24)20-18-22-21-16(29-18)7-10-3-5-11(19)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,20,22,24)