2,2-dimethyl-6-phenyl-4-(prop-2-enylsulfanylmethyl)-1H-quinoline

Systemtic Name: 2,2-dimethyl-6-phenyl-4-(prop-2-enylsulfanylmethyl)-1H-quinoline Openeye Name: 4-(allylsulfanylmethyl)-2,2-dimethyl-6-phenyl-1H-quinoline CAS Name: 2,2-dimethyl-6-phenyl-4-[(prop-2-enylthio)methyl]-1H-quinoline IUPAC Name: 2,2-dimethyl-6-phenyl-4-(prop-2-enylsulfanylmethyl)-1H-quinoline Traditional Name: 4-[(allylthio)methyl]-2,2-dimethyl-6-phenyl-1H-quinoline Formula: C21H23NS MolecularWeight: 321.47902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3)CSCC=C)C

Isomeric SMILES

CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3)CSCC=C)C

InChI

InChI=1S/C21H23NS/c1-4-12-23-15-18-14-21(2,3)22-20-11-10-17(13-19(18)20)16-8-6-5-7-9-16/h4-11,13-14,22H,1,12,15H2,2-3H3