1-(3-chlorophenyl)-3-(4-cyano-5-methylsulfanyl-2-phenyl-pyrazol-3-yl)urea

Systemtic Name: 1-(3-chlorophenyl)-3-(4-cyano-5-methylsulfanyl-2-phenyl-pyrazol-3-yl)urea Openeye Name: 1-(3-chlorophenyl)-3-(4-cyano-5-methylsulfanyl-2-phenyl-pyrazol-3-yl)urea CAS Name: 1-(3-chlorophenyl)-3-[4-cyano-5-(methylthio)-2-phenyl-3-pyrazolyl]urea IUPAC Name: 1-(3-chlorophenyl)-3-(4-cyano-5-methylsulfanyl-2-phenylpyrazol-3-yl)urea Traditional Name: 1-(3-chlorophenyl)-3-[4-cyano-5-(methylthio)-2-phenyl-pyrazol-3-yl]urea Formula: C18H14ClN5OS MolecularWeight: 383.85466

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1C#N)NC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CSC1=NN(C(=C1C#N)NC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H14ClN5OS/c1-26-17-15(11-20)16(24(23-17)14-8-3-2-4-9-14)22-18(25)21-13-7-5-6-12(19)10-13/h2-10H,1H3,(H2,21,22,25)