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

Systemtic Name: 1-(3-chlorophenyl)-3-[4-cyano-2-phenyl-5-(phenylmethylsulfanyl)pyrazol-3-yl]urea Openeye Name: 1-(5-benzylsulfanyl-4-cyano-2-phenyl-pyrazol-3-yl)-3-(3-chlorophenyl)urea CAS Name: 1-(3-chlorophenyl)-3-[4-cyano-2-phenyl-5-(phenylmethylthio)-3-pyrazolyl]urea IUPAC Name: 1-(5-benzylsulfanyl-4-cyano-2-phenylpyrazol-3-yl)-3-(3-chlorophenyl)urea Traditional Name: 1-[5-(benzylthio)-4-cyano-2-phenyl-pyrazol-3-yl]-3-(3-chlorophenyl)urea Formula: C24H18ClN5OS MolecularWeight: 459.95062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClN5OS/c25-18-10-7-11-19(14-18)27-24(31)28-22-21(15-26)23(32-16-17-8-3-1-4-9-17)29-30(22)20-12-5-2-6-13-20/h1-14H,16H2,(H2,27,28,31)