N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide CAS Name: N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide Traditional Name: 2-(benzylthio)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)NC(=O)CSCC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)NC(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C21H19N5OS/c1-15-23-24-20-11-10-19(25-26(15)20)17-8-5-9-18(12-17)22-21(27)14-28-13-16-6-3-2-4-7-16/h2-12H,13-14H2,1H3,(H,22,27)