4-[3-(2-chlorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[3-(2-chlorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[3-(2-chlorophenyl)-5-isopropylsulfanyl-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[3-(2-chlorophenyl)-5-(propan-2-ylthio)-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[3-(2-chlorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[3-(2-chlorophenyl)-5-(isopropylthio)-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C22H22ClN5OS MolecularWeight: 439.96098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=C3SC(C)C)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=C3SC(C)C)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H22ClN5OS/c1-14(2)30-22-25-24-20(17-12-8-9-13-18(17)23)27(22)19-15(3)26(4)28(21(19)29)16-10-6-5-7-11-16/h5-14H,1-4H3