(E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylamide Formula: C24H24N4OS MolecularWeight: 416.53856

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C#N

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C24H24N4OS/c1-17-8-5-6-11-21(17)26-24(29)18(15-25)14-19-16-28(20-9-3-2-4-10-20)27-23(19)22-12-7-13-30-22/h2-4,7,9-10,12-14,16-17,21H,5-6,8,11H2,1H3,(H,26,29)/b18-14+/t17-,21+/m1/s1