(E)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[2-[(2-cyanobenzyl)thio]ethyl]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acrylamide Formula: C27H23N5OS MolecularWeight: 465.56942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=CC(=O)NCCSCC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)/C=C/C(=O)NCCSCC4=CC=CC=C4C#N

InChI

InChI=1S/C27H23N5OS/c28-17-21-7-4-5-8-24(21)20-34-16-15-30-26(33)13-12-23-19-32(25-10-2-1-3-11-25)31-27(23)22-9-6-14-29-18-22/h1-14,18-19H,15-16,20H2,(H,30,33)/b13-12+