(E)-3-[5-chloranyl-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[5-chloranyl-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]-2-(thiophene-2-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-4-pyrazolyl]-2-[oxo(thiophen-2-yl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-2-(thiophene-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[5-chloro-1-(4-fluorobenzyl)-3-methyl-pyrazol-4-yl]-2-(2-thenoyl)acrylonitrile Formula: C19H13ClFN3OS MolecularWeight: 385.842423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)C2=CC=CS2)Cl)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)C2=CC=CS2)Cl)CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H13ClFN3OS/c1-12-16(9-14(10-22)18(25)17-3-2-8-26-17)19(20)24(23-12)11-13-4-6-15(21)7-5-13/h2-9H,11H2,1H3/b14-9+