tert-butyl N-[2-[4-(4-fluorophenyl)-5-(2-sulfanylidene-1H-pyrimidin-6-yl)imidazol-1-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[4-(4-fluorophenyl)-5-(2-sulfanylidene-1H-pyrimidin-6-yl)imidazol-1-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[4-(4-fluorophenyl)-5-(2-thioxo-1H-pyrimidin-6-yl)imidazol-1-yl]ethyl]carbamate CAS Name: N-[2-[4-(4-fluorophenyl)-5-(2-sulfanylidene-1H-pyrimidin-6-yl)-1-imidazolyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-(4-fluorophenyl)-5-(2-sulfanylidene-1H-pyrimidin-6-yl)imidazol-1-yl]ethyl]carbamate Traditional Name: N-[2-[4-(4-fluorophenyl)-5-(2-thioxo-1H-pyrimidin-6-yl)imidazol-1-yl]ethyl]carbamic acid tert-butyl ester Formula: C20H22FN5O2S MolecularWeight: 415.484383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN1C=NC(=C1C2=CC=NC(=S)N2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)NCCN1C=NC(=C1C2=CC=NC(=S)N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN5O2S/c1-20(2,3)28-19(27)23-10-11-26-12-24-16(13-4-6-14(21)7-5-13)17(26)15-8-9-22-18(29)25-15/h4-9,12H,10-11H2,1-3H3,(H,23,27)(H,22,25,29)