(E)-3-(3-chloranyl-1-benzothiophen-2-yl)-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-1-benzothiophen-2-yl)-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(3-chlorobenzothiophen-2-yl)-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]prop-2-enamide CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-N-[[2-(1-pyrazolyl)-3-pyridinyl]methyl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]acrylamide Formula: C20H15ClN4OS MolecularWeight: 394.8773

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C=CC(=O)NCC3=C(N=CC=C3)N4C=CC=N4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)/C=C/C(=O)NCC3=C(N=CC=C3)N4C=CC=N4)Cl

InChI

InChI=1S/C20H15ClN4OS/c21-19-15-6-1-2-7-16(15)27-17(19)8-9-18(26)23-13-14-5-3-10-22-20(14)25-12-4-11-24-25/h1-12H,13H2,(H,23,26)/b9-8+