2-(3,5-dimethylpyrazol-1-yl)-N-[(7-methylsulfanyl-2-thiophen-2-yl-quinolin-3-yl)methyl]ethanamine

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[(7-methylsulfanyl-2-thiophen-2-yl-quinolin-3-yl)methyl]ethanamine Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[[7-methylsulfanyl-2-(2-thienyl)-3-quinolyl]methyl]ethanamine CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-N-[[7-(methylthio)-2-thiophen-2-yl-3-quinolinyl]methyl]ethanamine IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]ethanamine Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[7-(methylthio)-2-(2-thienyl)-3-quinolyl]methyl]amine Formula: C22H24N4S2 MolecularWeight: 408.58276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCNCC2=C(N=C3C=C(C=CC3=C2)SC)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=NN1CCNCC2=C(N=C3C=C(C=CC3=C2)SC)C4=CC=CS4)C

InChI

InChI=1S/C22H24N4S2/c1-15-11-16(2)26(25-15)9-8-23-14-18-12-17-6-7-19(27-3)13-20(17)24-22(18)21-5-4-10-28-21/h4-7,10-13,23H,8-9,14H2,1-3H3