3-bromanyl-2-[(4-tert-butylphenyl)sulfanylmethyl]aniline

Systemtic Name: 3-bromanyl-2-[(4-tert-butylphenyl)sulfanylmethyl]aniline Openeye Name: 3-bromo-2-[(4-tert-butylphenyl)sulfanylmethyl]aniline CAS Name: 3-bromo-2-[[(4-tert-butylphenyl)thio]methyl]aniline IUPAC Name: 3-bromo-2-[(4-tert-butylphenyl)sulfanylmethyl]aniline Traditional Name: [3-bromo-2-[[(4-tert-butylphenyl)thio]methyl]phenyl]amine Formula: C17H20BrNS MolecularWeight: 350.3164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC2=C(C=CC=C2Br)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC2=C(C=CC=C2Br)N

InChI

InChI=1S/C17H20BrNS/c1-17(2,3)12-7-9-13(10-8-12)20-11-14-15(18)5-4-6-16(14)19/h4-10H,11,19H2,1-3H3