2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]aniline

Systemtic Name: 2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]aniline Openeye Name: 2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]aniline CAS Name: 2-[(2,3,4,5,6-pentamethylphenyl)methylthio]aniline IUPAC Name: 2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]aniline Traditional Name: [2-[(2,3,4,5,6-pentamethylbenzyl)thio]phenyl]amine Formula: C18H23NS MolecularWeight: 285.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CSC2=CC=CC=C2N)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CSC2=CC=CC=C2N)C)C

InChI

InChI=1S/C18H23NS/c1-11-12(2)14(4)16(15(5)13(11)3)10-20-18-9-7-6-8-17(18)19/h6-9H,10,19H2,1-5H3