N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-(2-pyrimidylthio)acetamide Formula: C22H18FN5OS MolecularWeight: 419.474623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C(C1C3=CC=C(C=C3)F)NC(=O)CSC4=NC=CC=N4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C([C@H]1C3=CC=C(C=C3)F)NC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C22H18FN5OS/c1-14-20(15-7-9-16(23)10-8-15)21(27-18-6-3-2-5-17(18)26-14)28-19(29)13-30-22-24-11-4-12-25-22/h2-12,20H,13H2,1H3,(H,27,28,29)/t20-/m1/s1