3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea Openeye Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea CAS Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-methyl-1-[[4-(methylthio)phenyl]methyl]urea IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea Traditional Name: 3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1-methyl-1-[4-(methylthio)benzyl]urea Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)N(C)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)N(C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H24N4O2S/c1-15-19(20(26)25(24(15)3)17-8-6-5-7-9-17)22-21(27)23(2)14-16-10-12-18(28-4)13-11-16/h5-13H,14H2,1-4H3,(H,22,27)