5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-(4-chlorophenyl)-1H-pyrazol-3-one

Systemtic Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-(4-chlorophenyl)-1H-pyrazol-3-one Openeye Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-(4-chlorophenyl)-1H-pyrazol-3-one CAS Name: 5-[(1,3-benzoxazol-2-ylthio)methyl]-2-(4-chlorophenyl)-1H-pyrazol-3-one IUPAC Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-(4-chlorophenyl)-1H-pyrazol-3-one Traditional Name: 5-[(1,3-benzoxazol-2-ylthio)methyl]-2-(4-chlorophenyl)-3-pyrazolin-3-one Formula: C17H12ClN3O2S MolecularWeight: 357.81408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC3=CC(=O)N(N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC3=CC(=O)N(N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H12ClN3O2S/c18-11-5-7-13(8-6-11)21-16(22)9-12(20-21)10-24-17-19-14-3-1-2-4-15(14)23-17/h1-9,20H,10H2