2-[(5-chloranyl-1-methyl-3-pyrazin-2-yl-pyrazol-4-yl)methylsulfanyl]-N-quinolin-3-yl-benzamide

Systemtic Name: 2-[(5-chloranyl-1-methyl-3-pyrazin-2-yl-pyrazol-4-yl)methylsulfanyl]-N-quinolin-3-yl-benzamide Openeye Name: 2-[(5-chloro-1-methyl-3-pyrazin-2-yl-pyrazol-4-yl)methylsulfanyl]-N-(3-quinolyl)benzamide CAS Name: 2-[[5-chloro-1-methyl-3-(2-pyrazinyl)-4-pyrazolyl]methylthio]-N-(3-quinolinyl)benzamide IUPAC Name: 2-[(5-chloro-1-methyl-3-pyrazin-2-ylpyrazol-4-yl)methylsulfanyl]-N-quinolin-3-ylbenzamide Traditional Name: 2-[(5-chloro-1-methyl-3-pyrazin-2-yl-pyrazol-4-yl)methylthio]-N-(3-quinolyl)benzamide Formula: C25H19ClN6OS MolecularWeight: 486.97596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=NC=CN=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=CC=CC=C5N=C4)Cl

Isomeric SMILES

CN1C(=C(C(=N1)C2=NC=CN=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=CC=CC=C5N=C4)Cl

InChI

InChI=1S/C25H19ClN6OS/c1-32-24(26)19(23(31-32)21-14-27-10-11-28-21)15-34-22-9-5-3-7-18(22)25(33)30-17-12-16-6-2-4-8-20(16)29-13-17/h2-14H,15H2,1H3,(H,30,33)