(2R,3R)-2-(1-adamantylcarbonyl)-5-azanyl-3-(3-fluorophenyl)-2,3-dihydrothiophene-4-carbonitrile

Systemtic Name: (2R,3R)-2-(1-adamantylcarbonyl)-5-azanyl-3-(3-fluorophenyl)-2,3-dihydrothiophene-4-carbonitrile Openeye Name: (2R,3R)-2-(adamantane-1-carbonyl)-5-amino-3-(3-fluorophenyl)-2,3-dihydrothiophene-4-carbonitrile CAS Name: (2R,3R)-2-[1-adamantyl(oxo)methyl]-5-amino-3-(3-fluorophenyl)-2,3-dihydrothiophene-4-carbonitrile IUPAC Name: (2R,3R)-2-(adamantane-1-carbonyl)-5-amino-3-(3-fluorophenyl)-2,3-dihydrothiophene-4-carbonitrile Traditional Name: (2R,3R)-2-(adamantane-1-carbonyl)-5-amino-3-(3-fluorophenyl)-2,3-dihydrothiophene-4-carbonitrile Formula: C22H23FN2OS MolecularWeight: 382.494223

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C(=C(S4)N)C#N)C5=CC(=CC=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)[C@H]4[C@@H](C(=C(S4)N)C#N)C5=CC(=CC=C5)F

InChI

InChI=1S/C22H23FN2OS/c23-16-3-1-2-15(7-16)18-17(11-24)21(25)27-19(18)20(26)22-8-12-4-13(9-22)6-14(5-12)10-22/h1-3,7,12-14,18-19H,4-6,8-10,25H2/t12?,13?,14?,18-,19-,22?/m1/s1