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

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-N-[5-(1-ethylpropyl)-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-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C17H18N4O5S MolecularWeight: 390.41362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H18N4O5S/c1-3-10(4-2)16-19-20-17(27-16)18-15(22)6-5-11-7-13-14(26-9-25-13)8-12(11)21(23)24/h5-8,10H,3-4,9H2,1-2H3,(H,18,20,22)/b6-5+