4-[[5-[(4-chloranylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-[(4-chloranylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-3-nitro-benzamide Formula: C17H13ClN4O5S MolecularWeight: 420.82692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC2=NN=C(O2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1OCC2=NN=C(O2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H13ClN4O5S/c18-12-3-5-13(6-4-12)26-8-15-20-21-17(27-15)28-9-11-2-1-10(16(19)23)7-14(11)22(24)25/h1-7H,8-9H2,(H2,19,23)