(2S)-2-(1-adamantylsulfanyl)-3-(4-methylphenyl)propanenitrile

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)-3-(4-methylphenyl)propanenitrile Openeye Name: (2S)-2-(1-adamantylsulfanyl)-3-(p-tolyl)propanenitrile CAS Name: (2S)-2-(1-adamantylthio)-3-(4-methylphenyl)propanenitrile IUPAC Name: (2S)-2-(1-adamantylsulfanyl)-3-(4-methylphenyl)propanenitrile Traditional Name: (2S)-2-(1-adamantylthio)-3-(p-tolyl)propionitrile Formula: C20H25NS MolecularWeight: 311.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)C[C@@H](C#N)SC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H25NS/c1-14-2-4-15(5-3-14)9-19(13-21)22-20-10-16-6-17(11-20)8-18(7-16)12-20/h2-5,16-19H,6-12H2,1H3/t16?,17?,18?,19-,20?/m0/s1