1-imidazol-1-yl-3,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butan-2-amine

Systemtic Name: 1-imidazol-1-yl-3,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butan-2-amine Openeye Name: 1-imidazol-1-yl-3,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butan-2-amine CAS Name: 1-(1-imidazolyl)-3,3-dimethyl-N-[[4-(methylthio)phenyl]methyl]-2-butanamine IUPAC Name: 1-imidazol-1-yl-3,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butan-2-amine Traditional Name: [1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]-[4-(methylthio)benzyl]amine Formula: C17H25N3S MolecularWeight: 303.4655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CN=C1)NCC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)(C)C(CN1C=CN=C1)NCC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H25N3S/c1-17(2,3)16(12-20-10-9-18-13-20)19-11-14-5-7-15(21-4)8-6-14/h5-10,13,16,19H,11-12H2,1-4H3