4-methoxy-3-nitro-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-methoxy-3-nitro-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-nitro-benzamide CAS Name: 4-methoxy-3-nitro-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-4-methoxy-3-nitro-benzamide Formula: C13H12N4O4S2 MolecularWeight: 352.38878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC=C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC=C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4S2/c1-3-6-22-13-16-15-12(23-13)14-11(18)8-4-5-10(21-2)9(7-8)17(19)20/h3-5,7H,1,6H2,2H3,(H,14,15,18)