(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-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-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-2-propenamide IUPAC Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-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-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C15H12N4O5S2 MolecularWeight: 392.40958

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C15H12N4O5S2/c1-2-5-25-15-18-17-14(26-15)16-13(20)4-3-9-6-11-12(24-8-23-11)7-10(9)19(21)22/h2-4,6-7H,1,5,8H2,(H,16,17,20)/b4-3+