(3-butyl-2-methyl-quinolin-4-yl)sulfanylmethanediamine

Systemtic Name: (3-butyl-2-methyl-quinolin-4-yl)sulfanylmethanediamine Openeye Name: (3-butyl-2-methyl-4-quinolyl)sulfanylmethanediamine CAS Name: [(3-butyl-2-methyl-4-quinolinyl)thio]methanediamine IUPAC Name: (3-butyl-2-methylquinolin-4-yl)sulfanylmethanediamine Traditional Name: [amino-[(3-butyl-2-methyl-4-quinolyl)thio]methyl]amine Formula: C15H21N3S MolecularWeight: 275.41234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2N=C1C)SC(N)N

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N=C1C)SC(N)N

InChI

InChI=1S/C15H21N3S/c1-3-4-7-11-10(2)18-13-9-6-5-8-12(13)14(11)19-15(16)17/h5-6,8-9,15H,3-4,7,16-17H2,1-2H3