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

Systemtic Name: (E)-N-(3-methylsulfanylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(3-methylsulfanylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[3-(methylthio)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(3-methylsulfanylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[3-(methylthio)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H14N2O5S/c1-25-13-4-2-3-12(8-13)18-17(20)6-5-11-7-15-16(24-10-23-15)9-14(11)19(21)22/h2-9H,10H2,1H3,(H,18,20)/b6-5+