(E)-1-(azetidin-1-yl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(azetidin-1-yl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-1-(azetidin-1-yl)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-(1-azetidinyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(azetidin-1-yl)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(azetidin-1-yl)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]prop-2-en-1-one Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C(=O)C=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C1)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C20H19N3OS/c24-19(22-11-5-12-22)10-9-17-15-23(14-16-6-2-1-3-7-16)21-20(17)18-8-4-13-25-18/h1-4,6-10,13,15H,5,11-12,14H2/b10-9+