(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-[2-(2-thienyl)pyrrolidin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-(2-thiophen-2-yl-1-pyrrolidinyl)-2-propen-1-one IUPAC Name: (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-[2-(2-thienyl)pyrrolidino]prop-2-en-1-one Formula: C16H18ClN3OS MolecularWeight: 335.85162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCC2C3=CC=CS3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)N2CCCC2C3=CC=CS3)Cl)C

InChI

InChI=1S/C16H18ClN3OS/c1-11-12(16(17)19(2)18-11)7-8-15(21)20-9-3-5-13(20)14-6-4-10-22-14/h4,6-8,10,13H,3,5,9H2,1-2H3/b8-7+