(E)-3-(3-chloranyl-1-benzothiophen-2-yl)-N-(3-pyrazol-1-ylpropyl)prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-1-benzothiophen-2-yl)-N-(3-pyrazol-1-ylpropyl)prop-2-enamide Openeye Name: (E)-3-(3-chlorobenzothiophen-2-yl)-N-(3-pyrazol-1-ylpropyl)prop-2-enamide CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-N-[3-(1-pyrazolyl)propyl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-N-(3-pyrazol-1-ylpropyl)prop-2-enamide Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)-N-(3-pyrazol-1-ylpropyl)acrylamide Formula: C17H16ClN3OS MolecularWeight: 345.84644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C=CC(=O)NCCCN3C=CC=N3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)/C=C/C(=O)NCCCN3C=CC=N3)Cl

InChI

InChI=1S/C17H16ClN3OS/c18-17-13-5-1-2-6-14(13)23-15(17)7-8-16(22)19-9-3-11-21-12-4-10-20-21/h1-2,4-8,10,12H,3,9,11H2,(H,19,22)/b8-7+