4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-(6-ethyl-4-piperazin-1-yl-pyridin-3-yl)quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-(6-ethyl-4-piperazin-1-yl-pyridin-3-yl)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-(6-ethyl-4-piperazin-1-yl-3-pyridyl)quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[6-ethyl-4-(1-piperazinyl)-3-pyridinyl]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-(6-ethyl-4-piperazin-1-ylpyridin-3-yl)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-(6-ethyl-4-piperazino-3-pyridyl)quinoline-3-carbonitrile Formula: C31H29ClN8S MolecularWeight: 581.13356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C(=C1)N2CCNCC2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=NC=CN6C)Cl)C#N

Isomeric SMILES

CCC1=NC=C(C(=C1)N2CCNCC2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=NC=CN6C)Cl)C#N

InChI

InChI=1S/C31H29ClN8S/c1-3-22-16-28(40-12-8-34-9-13-40)25(19-36-22)20-4-6-24-27(14-20)37-18-21(17-33)30(24)38-23-5-7-29(26(32)15-23)41-31-35-10-11-39(31)2/h4-7,10-11,14-16,18-19,34H,3,8-9,12-13H2,1-2H3,(H,37,38)