[3-(3-chloranylbut-2-enyl)-2,6-dimethyl-quinolin-4-yl]sulfanylmethanediamine

Systemtic Name: [3-(3-chloranylbut-2-enyl)-2,6-dimethyl-quinolin-4-yl]sulfanylmethanediamine Openeye Name: [3-(3-chlorobut-2-enyl)-2,6-dimethyl-4-quinolyl]sulfanylmethanediamine CAS Name: [[3-(3-chlorobut-2-enyl)-2,6-dimethyl-4-quinolinyl]thio]methanediamine IUPAC Name: [3-(3-chlorobut-2-enyl)-2,6-dimethylquinolin-4-yl]sulfanylmethanediamine Traditional Name: [amino-[[3-(3-chlorobut-2-enyl)-2,6-dimethyl-4-quinolyl]thio]methyl]amine Formula: C16H20ClN3S MolecularWeight: 321.8681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2SC(N)N)CC=C(C)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2SC(N)N)CC=C(C)Cl)C

InChI

InChI=1S/C16H20ClN3S/c1-9-4-7-14-13(8-9)15(21-16(18)19)12(11(3)20-14)6-5-10(2)17/h4-5,7-8,16H,6,18-19H2,1-3H3