4-[[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]amino]methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]amino]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]anilino]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]anilino]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]anilino]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]anilino]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C22H21N5OS MolecularWeight: 403.50004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)SC2=CC=CC=C2NC=C3C(=NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=NN1)C)SC2=CC=CC=C2NC=C3C(=NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H21N5OS/c1-14-18(22(28)27(26-14)17-9-5-4-6-10-17)13-23-19-11-7-8-12-20(19)29-21-15(2)24-25-16(21)3/h4-13,23H,1-3H3,(H,24,25)