1-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)urea

Systemtic Name: 1-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)urea Openeye Name: 1-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)urea CAS Name: 1-[[3-methyl-1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-3-[3-(methylthio)phenyl]urea IUPAC Name: 1-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]-3-(3-methylsulfanylphenyl)urea Traditional Name: 1-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]-3-[3-(methylthio)phenyl]urea Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNC(=O)NC2=CC(=CC=C2)SC)N3C=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CNC(=O)NC2=CC(=CC=C2)SC)N3C=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5OS/c1-17-21(16-24-23(29)25-18-9-8-12-20(15-18)30-2)22(27-13-6-7-14-27)28(26-17)19-10-4-3-5-11-19/h3-15H,16H2,1-2H3,(H2,24,25,29)