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

Systemtic Name: 2-(benzotriazol-1-yl)-1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[(5R)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CN3C4=CC=CC=C4N=N3)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=NN2C(=O)CN3C4=CC=CC=C4N=N3)C5=CC=CS5)OC

InChI

InChI=1S/C23H21N5O3S/c1-30-20-10-9-15(12-21(20)31-2)19-13-17(22-8-5-11-32-22)25-28(19)23(29)14-27-18-7-4-3-6-16(18)24-26-27/h3-12,19H,13-14H2,1-2H3/t19-/m1/s1