(E)-1-(5-chloranylthiophen-2-yl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(5-chloranylthiophen-2-yl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-1-(5-chloro-2-thienyl)prop-2-en-1-one CAS Name: (E)-1-(5-chloro-2-thiophenyl)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-1-(5-chlorothiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-1-(5-chloro-2-thienyl)prop-2-en-1-one Formula: C22H16ClN3OS MolecularWeight: 405.89994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C=CC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=C/C(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C22H16ClN3OS/c23-21-11-10-20(28-21)19(27)9-8-18-15-26(14-16-5-2-1-3-6-16)25-22(18)17-7-4-12-24-13-17/h1-13,15H,14H2/b9-8+