4-[(3,3-dimethyl-4H-isoquinolin-1-yl)sulfanyl]aniline

Systemtic Name: 4-[(3,3-dimethyl-4H-isoquinolin-1-yl)sulfanyl]aniline Openeye Name: 4-[(3,3-dimethyl-4H-isoquinolin-1-yl)sulfanyl]aniline CAS Name: 4-[(3,3-dimethyl-4H-isoquinolin-1-yl)thio]aniline IUPAC Name: 4-[(3,3-dimethyl-4H-isoquinolin-1-yl)sulfanyl]aniline Traditional Name: [4-[(3,3-dimethyl-4H-isoquinolin-1-yl)thio]phenyl]amine Formula: C17H18N2S MolecularWeight: 282.40322

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)SC3=CC=C(C=C3)N)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)SC3=CC=C(C=C3)N)C

InChI

InChI=1S/C17H18N2S/c1-17(2)11-12-5-3-4-6-15(12)16(19-17)20-14-9-7-13(18)8-10-14/h3-10H,11,18H2,1-2H3