2-cyano-N-cyclohexyl-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide

Systemtic Name: 2-cyano-N-cyclohexyl-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide Openeye Name: 2-cyano-N-cyclohexyl-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide CAS Name: 2-cyano-N-cyclohexyl-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propenamide IUPAC Name: 2-cyano-N-cyclohexyl-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-enamide Traditional Name: 2-cyano-N-cyclohexyl-3-[3-nitro-4-(2-pyrimidylthio)phenyl]acrylamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H19N5O3S/c21-13-15(19(26)24-16-5-2-1-3-6-16)11-14-7-8-18(17(12-14)25(27)28)29-20-22-9-4-10-23-20/h4,7-12,16H,1-3,5-6H2,(H,24,26)