(Z)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide

Systemtic Name: (Z)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide Openeye Name: (Z)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide CAS Name: (Z)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propenamide IUPAC Name: (Z)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-enamide Traditional Name: (Z)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]acrylamide Formula: C23H16N6O3S2 MolecularWeight: 488.54154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])C#N)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)/C(=C\C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])/C#N)C#N

InChI

InChI=1S/C23H16N6O3S2/c24-12-15(21(30)28-22-17(13-25)16-4-1-2-5-19(16)33-22)10-14-6-7-20(18(11-14)29(31)32)34-23-26-8-3-9-27-23/h3,6-11H,1-2,4-5H2,(H,28,30)/b15-10-