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

Systemtic Name: 2-chloranyl-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-nitro-benzamide CAS Name: 2-chloro-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide Traditional Name: 2-chloro-5-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=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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