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

Systemtic Name: (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]-1-pyridin-4-yl-prop-2-en-1-one hydrochloride Openeye Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-(4-pyridyl)prop-2-en-1-one hydrochloride CAS Name: (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-1-pyridin-4-yl-2-propen-1-one hydrochloride IUPAC Name: (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-1-pyridin-4-ylprop-2-en-1-one hydrochloride Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-(4-pyridyl)prop-2-en-1-one hydrochloride Formula: C22H18ClN3OS MolecularWeight: 407.91582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C=CC(=O)C4=CC=NC=C4.Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)/C=C/C(=O)C4=CC=NC=C4.Cl

InChI

InChI=1S/C22H17N3OS.ClH/c26-20(18-10-12-23-13-11-18)9-8-19-16-25(15-17-5-2-1-3-6-17)24-22(19)21-7-4-14-27-21;/h1-14,16H,15H2;1H/b9-8+;