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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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