1-[4-cyano-2-phenyl-5-(phenylmethylsulfanyl)pyrazol-3-yl]-3-(3,4-dichlorophenyl)urea

Systemtic Name: 1-[4-cyano-2-phenyl-5-(phenylmethylsulfanyl)pyrazol-3-yl]-3-(3,4-dichlorophenyl)urea Openeye Name: 1-(5-benzylsulfanyl-4-cyano-2-phenyl-pyrazol-3-yl)-3-(3,4-dichlorophenyl)urea CAS Name: 1-[4-cyano-2-phenyl-5-(phenylmethylthio)-3-pyrazolyl]-3-(3,4-dichlorophenyl)urea IUPAC Name: 1-(5-benzylsulfanyl-4-cyano-2-phenylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea Traditional Name: 1-[5-(benzylthio)-4-cyano-2-phenyl-pyrazol-3-yl]-3-(3,4-dichlorophenyl)urea Formula: C24H17Cl2N5OS MolecularWeight: 494.39568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C(=C2C#N)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C(=C2C#N)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H17Cl2N5OS/c25-20-12-11-17(13-21(20)26)28-24(32)29-22-19(14-27)23(33-15-16-7-3-1-4-8-16)30-31(22)18-9-5-2-6-10-18/h1-13H,15H2,(H2,28,29,32)