2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(5-phenyl-2-pyrazolin-1-yl)ethanone Formula: C18H15N3O2S MolecularWeight: 337.3956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=NN(C1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1C=NN(C1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H15N3O2S/c22-17(12-24-18-20-14-8-4-5-9-16(14)23-18)21-15(10-11-19-21)13-6-2-1-3-7-13/h1-9,11,15H,10,12H2