1-(3-cyanophenyl)sulfonyl-3-[2-[4-(3,5-dimethyl-4-phenyl-pyrazol-1-yl)phenyl]ethyl]urea

Systemtic Name: 1-(3-cyanophenyl)sulfonyl-3-[2-[4-(3,5-dimethyl-4-phenyl-pyrazol-1-yl)phenyl]ethyl]urea Openeye Name: 1-(3-cyanophenyl)sulfonyl-3-[2-[4-(3,5-dimethyl-4-phenyl-pyrazol-1-yl)phenyl]ethyl]urea CAS Name: 1-(3-cyanophenyl)sulfonyl-3-[2-[4-(3,5-dimethyl-4-phenyl-1-pyrazolyl)phenyl]ethyl]urea IUPAC Name: 1-(3-cyanophenyl)sulfonyl-3-[2-[4-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]ethyl]urea Traditional Name: 1-(3-cyanophenyl)sulfonyl-3-[2-[4-(3,5-dimethyl-4-phenyl-pyrazol-1-yl)phenyl]ethyl]urea Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)CCNC(=O)NS(=O)(=O)C3=CC=CC(=C3)C#N)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)CCNC(=O)NS(=O)(=O)C3=CC=CC(=C3)C#N)C)C4=CC=CC=C4

InChI

InChI=1S/C27H25N5O3S/c1-19-26(23-8-4-3-5-9-23)20(2)32(30-19)24-13-11-21(12-14-24)15-16-29-27(33)31-36(34,35)25-10-6-7-22(17-25)18-28/h3-14,17H,15-16H2,1-2H3,(H2,29,31,33)