4-(6-acetamidopyridazin-3-yl)sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide

Systemtic Name: 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide Openeye Name: 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide CAS Name: 4-[(6-acetamido-3-pyridazinyl)thio]-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide IUPAC Name: 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide Traditional Name: 4-[(6-acetamidopyridazin-3-yl)thio]-N-[2-methoxy-5-(trifluoromethyl)phenyl]butyramide Formula: C18H19F3N4O3S MolecularWeight: 428.42867

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN=C(C=C1)SCCCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)OC

Isomeric SMILES

CC(=O)NC1=NN=C(C=C1)SCCCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)OC

InChI

InChI=1S/C18H19F3N4O3S/c1-11(26)22-15-7-8-17(25-24-15)29-9-3-4-16(27)23-13-10-12(18(19,20)21)5-6-14(13)28-2/h5-8,10H,3-4,9H2,1-2H3,(H,23,27)(H,22,24,26)