2-[4-(4-methylphenyl)phthalazin-1-yl]sulfanyl-1,3-benzoxazole

Systemtic Name: 2-[4-(4-methylphenyl)phthalazin-1-yl]sulfanyl-1,3-benzoxazole Openeye Name: 2-[4-(p-tolyl)phthalazin-1-yl]sulfanyl-1,3-benzoxazole CAS Name: 2-[[4-(4-methylphenyl)-1-phthalazinyl]thio]-1,3-benzoxazole IUPAC Name: 2-[4-(4-methylphenyl)phthalazin-1-yl]sulfanyl-1,3-benzoxazole Traditional Name: 2-[[4-(p-tolyl)phthalazin-1-yl]thio]-1,3-benzoxazole Formula: C22H15N3OS MolecularWeight: 369.439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H15N3OS/c1-14-10-12-15(13-11-14)20-16-6-2-3-7-17(16)21(25-24-20)27-22-23-18-8-4-5-9-19(18)26-22/h2-13H,1H3