[3-(1-adamantyl)-4-methoxy-phenyl]-methylsulfanyl-methanamine

Systemtic Name: [3-(1-adamantyl)-4-methoxy-phenyl]-methylsulfanyl-methanamine Openeye Name: [3-(1-adamantyl)-4-methoxy-phenyl]-methylsulfanyl-methanamine CAS Name: [3-(1-adamantyl)-4-methoxyphenyl]-(methylthio)methanamine IUPAC Name: [3-(1-adamantyl)-4-methoxyphenyl]-methylsulfanylmethanamine Traditional Name: [[3-(1-adamantyl)-4-methoxy-phenyl]-(methylthio)methyl]amine Formula: C19H27NOS MolecularWeight: 317.48878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(N)SC)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(N)SC)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H27NOS/c1-21-17-4-3-15(18(20)22-2)8-16(17)19-9-12-5-13(10-19)7-14(6-12)11-19/h3-4,8,12-14,18H,5-7,9-11,20H2,1-2H3