1-(3-bromophenyl)-3-[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoylamino]urea

Systemtic Name: 1-(3-bromophenyl)-3-[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoylamino]urea Openeye Name: 1-(3-bromophenyl)-3-[[2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetyl]amino]urea CAS Name: 1-(3-bromophenyl)-3-[[2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-1-oxoethyl]amino]urea IUPAC Name: 1-(3-bromophenyl)-3-[[2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetyl]amino]urea Traditional Name: 1-(3-bromophenyl)-3-[[2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetyl]amino]urea Formula: C27H20BrN5O2S MolecularWeight: 558.449

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NNC(=O)NC3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NNC(=O)NC3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C27H20BrN5O2S/c28-20-12-7-13-21(14-20)30-27(35)33-32-25(34)17-36-26-23(16-29)22(18-8-3-1-4-9-18)15-24(31-26)19-10-5-2-6-11-19/h1-15H,17H2,(H,32,34)(H2,30,33,35)