4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)CCC3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)CCC3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H18N4O5S/c1-27-15-10-13(14(23(25)26)11-16(15)28-2)18(24)20-19-22-21-17(29-19)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,20,22,24)