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

Systemtic Name: (E)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[2-[(2-cyanobenzyl)thio]ethyl]-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=CC(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C/C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H20N4OS/c23-14-19-6-4-5-7-20(19)17-28-13-12-24-22(27)11-10-18-15-25-26(16-18)21-8-2-1-3-9-21/h1-11,15-16H,12-13,17H2,(H,24,27)/b11-10+