1-(2-cyanoethyl)-3-[5-(4-fluoranyl-3-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]urea

Systemtic Name: 1-(2-cyanoethyl)-3-[5-(4-fluoranyl-3-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]urea Openeye Name: 1-(2-cyanoethyl)-3-[5-(4-fluoro-3-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]urea CAS Name: 1-(2-cyanoethyl)-3-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-2-thiazolyl]urea IUPAC Name: 1-(2-cyanoethyl)-3-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]urea Traditional Name: 1-(2-cyanoethyl)-3-[5-(4-fluoro-3-mesyl-phenyl)-4-methyl-thiazol-2-yl]urea Formula: C15H15FN4O3S2 MolecularWeight: 382.433003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)NCCC#N)C2=CC(=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)NCCC#N)C2=CC(=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C15H15FN4O3S2/c1-9-13(10-4-5-11(16)12(8-10)25(2,22)23)24-15(19-9)20-14(21)18-7-3-6-17/h4-5,8H,3,7H2,1-2H3,(H2,18,19,20,21)