(4S)-4-(1-adamantylsulfanyl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-pentanenitrile

Systemtic Name: (4S)-4-(1-adamantylsulfanyl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-pentanenitrile Openeye Name: (4S)-4-(1-adamantylsulfanyl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-pentanenitrile CAS Name: (4S)-4-(1-adamantylthio)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxopentanenitrile IUPAC Name: (4S)-4-(1-adamantylsulfanyl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxopentanenitrile Traditional Name: (4S)-4-(1-adamantylthio)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-valeronitrile Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)SC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)C(=C1NC2=CC=CC=C2N1)C#N)SC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H25N3OS/c1-13(27-22-9-14-6-15(10-22)8-16(7-14)11-22)20(26)17(12-23)21-24-18-4-2-3-5-19(18)25-21/h2-5,13-16,24-25H,6-11H2,1H3/t13-,14?,15?,16?,22?/m0/s1