(E)-3-(4-nitrophenyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-nitrophenyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-3-(4-nitrophenyl)-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-2-propenamide IUPAC Name: (E)-3-(4-nitrophenyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)acrylamide Formula: C14H12N4O3S2 MolecularWeight: 348.40008

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O3S2/c1-2-9-22-14-17-16-13(23-14)15-12(19)8-5-10-3-6-11(7-4-10)18(20)21/h2-8H,1,9H2,(H,15,16,19)/b8-5+