2-chloranyl-1-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-chloranyl-1-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]ethanone Openeye Name: 2-chloro-1-[(3S)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-1,3-dihydropyrazol-2-yl]ethanone CAS Name: 2-chloro-1-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-chloro-1-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]ethanone Traditional Name: 2-chloro-1-[(5S)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-3-pyrazolin-1-yl]ethanone Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C=C(NN2C(=O)CCl)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2C=C(NN2C(=O)CCl)C3=CC=CS3)OC

InChI

InChI=1S/C17H17ClN2O3S/c1-22-14-6-5-11(8-15(14)23-2)13-9-12(16-4-3-7-24-16)19-20(13)17(21)10-18/h3-9,13,19H,10H2,1-2H3/t13-/m0/s1