3-[(4-tert-butylphenyl)sulfanylmethyl]-4-chloranyl-aniline

Systemtic Name: 3-[(4-tert-butylphenyl)sulfanylmethyl]-4-chloranyl-aniline Openeye Name: 3-[(4-tert-butylphenyl)sulfanylmethyl]-4-chloro-aniline CAS Name: 3-[[(4-tert-butylphenyl)thio]methyl]-4-chloroaniline IUPAC Name: 3-[(4-tert-butylphenyl)sulfanylmethyl]-4-chloroaniline Traditional Name: [3-[[(4-tert-butylphenyl)thio]methyl]-4-chloro-phenyl]amine Formula: C17H20ClNS MolecularWeight: 305.8654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC2=C(C=CC(=C2)N)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC2=C(C=CC(=C2)N)Cl

InChI

InChI=1S/C17H20ClNS/c1-17(2,3)13-4-7-15(8-5-13)20-11-12-10-14(19)6-9-16(12)18/h4-10H,11,19H2,1-3H3