2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(3R)-3-(2-furyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[(3R)-3-(2-furanyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[(5R)-5-(2-furyl)-3-(p-tolyl)-2-pyrazolin-1-yl]ethanone Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC=CO3)C(=O)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H19N3O3S/c1-15-8-10-16(11-9-15)18-13-19(21-7-4-12-28-21)26(25-18)22(27)14-30-23-24-17-5-2-3-6-20(17)29-23/h2-12,19H,13-14H2,1H3/t19-/m1/s1