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

Systemtic Name: 1-(4-cyano-5-methylsulfanyl-2-phenyl-pyrazol-3-yl)-3-(3,4-dichlorophenyl)urea Openeye Name: 1-(4-cyano-5-methylsulfanyl-2-phenyl-pyrazol-3-yl)-3-(3,4-dichlorophenyl)urea CAS Name: 1-[4-cyano-5-(methylthio)-2-phenyl-3-pyrazolyl]-3-(3,4-dichlorophenyl)urea IUPAC Name: 1-(4-cyano-5-methylsulfanyl-2-phenylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea Traditional Name: 1-[4-cyano-5-(methylthio)-2-phenyl-pyrazol-3-yl]-3-(3,4-dichlorophenyl)urea Formula: C18H13Cl2N5OS MolecularWeight: 418.29972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13Cl2N5OS/c1-27-17-13(10-21)16(25(24-17)12-5-3-2-4-6-12)23-18(26)22-11-7-8-14(19)15(20)9-11/h2-9H,1H3,(H2,22,23,26)