(E)-N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]-3-(3-nitrophenyl)acrylamide Formula: C14H11N5O3S MolecularWeight: 329.33384

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=C1C#N)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=NNC(=C1C#N)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O3S/c1-23-14-11(8-15)13(17-18-14)16-12(20)6-5-9-3-2-4-10(7-9)19(21)22/h2-7H,1H3,(H2,16,17,18,20)/b6-5+