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

Systemtic Name: 4-chloranyl-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Openeye Name: 4-chloro-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide CAS Name: 4-chloro-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide IUPAC Name: 4-chloro-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide Traditional Name: 4-chloro-2-nitro-N-(5-p-anisyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C17H13ClN4O4S MolecularWeight: 404.82752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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