2-(3-nitrophenoxy)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)COC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)COC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4S2/c1-2-6-22-13-16-15-12(23-13)14-11(18)8-21-10-5-3-4-9(7-10)17(19)20/h2-5,7H,1,6,8H2,(H,14,15,18)