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

Systemtic Name: (E)-N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[4-cyano-3-(ethylthio)-1H-pyrazol-5-yl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[4-cyano-3-(ethylthio)-1H-pyrazol-5-yl]-3-(3-nitrophenyl)acrylamide Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NNC(=C1C#N)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NNC(=C1C#N)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O3S/c1-2-24-15-12(9-16)14(18-19-15)17-13(21)7-6-10-4-3-5-11(8-10)20(22)23/h3-8H,2H2,1H3,(H2,17,18,19,21)/b7-6+