(4R,5S)-5-(1-adamantylcarbonyl)-2-azanylidene-4-(3-fluorophenyl)thiolane-3-carbonitrile

Systemtic Name: (4R,5S)-5-(1-adamantylcarbonyl)-2-azanylidene-4-(3-fluorophenyl)thiolane-3-carbonitrile Openeye Name: (4R,5S)-5-(adamantane-1-carbonyl)-4-(3-fluorophenyl)-2-imino-tetrahydrothiophene-3-carbonitrile CAS Name: (4R,5S)-5-[1-adamantyl(oxo)methyl]-4-(3-fluorophenyl)-2-imino-3-thiolanecarbonitrile IUPAC Name: (4R,5S)-5-(adamantane-1-carbonyl)-4-(3-fluorophenyl)-2-iminothiolane-3-carbonitrile Traditional Name: (4R,5S)-5-(adamantane-1-carbonyl)-4-(3-fluorophenyl)-2-imino-tetrahydrothiophene-3-carbonitrile Formula: C22H23FN2OS MolecularWeight: 382.494223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)[C@@H]4[C@H](C(C(=N)S4)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/h1-3,7,12-14,17-19,25H,4-6,8-10H2/t12?,13?,14?,17?,18-,19-,22?/m0/s1