2-(4-phenylphthalazin-1-yl)sulfanyl-1,3-benzoxazole

Systemtic Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-1,3-benzoxazole Openeye Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-1,3-benzoxazole CAS Name: 2-[(4-phenyl-1-phthalazinyl)thio]-1,3-benzoxazole IUPAC Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-1,3-benzoxazole Traditional Name: 2-[(4-phenylphthalazin-1-yl)thio]-1,3-benzoxazole Formula: C21H13N3OS MolecularWeight: 355.41242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13N3OS/c1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20(24-23-19)26-21-22-17-12-6-7-13-18(17)25-21/h1-13H