3-(1-adamantylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 3-(1-adamantylsulfanylmethyl)benzenecarbonitrile Openeye Name: 3-(1-adamantylsulfanylmethyl)benzonitrile CAS Name: 3-[(1-adamantylthio)methyl]benzonitrile IUPAC Name: 3-(1-adamantylsulfanylmethyl)benzonitrile Traditional Name: 3-[(1-adamantylthio)methyl]benzonitrile Formula: C18H21NS MolecularWeight: 283.43104

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C18H21NS/c19-11-13-2-1-3-14(4-13)12-20-18-8-15-5-16(9-18)7-17(6-15)10-18/h1-4,15-17H,5-10,12H2