3,5-dimethyl-4-(phthalazin-1-ylsulfanylmethyl)-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-(phthalazin-1-ylsulfanylmethyl)-1,2-oxazole Openeye Name: 3,5-dimethyl-4-(phthalazin-1-ylsulfanylmethyl)isoxazole CAS Name: 3,5-dimethyl-4-[(1-phthalazinylthio)methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-(phthalazin-1-ylsulfanylmethyl)-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[(phthalazin-1-ylthio)methyl]isoxazole Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NN=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NN=CC3=CC=CC=C32

InChI

InChI=1S/C14H13N3OS/c1-9-13(10(2)18-17-9)8-19-14-12-6-4-3-5-11(12)7-15-16-14/h3-7H,8H2,1-2H3