2-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanyl-1,3-benzothiazole

Systemtic Name: 2-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanyl-1,3-benzothiazole Openeye Name: 2-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanyl-1,3-benzothiazole CAS Name: 2-[[4-(4-chlorophenyl)-1-phthalazinyl]thio]-1,3-benzothiazole IUPAC Name: 2-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanyl-1,3-benzothiazole Traditional Name: 2-[[4-(4-chlorophenyl)phthalazin-1-yl]thio]-1,3-benzothiazole Formula: C21H12ClN3S2 MolecularWeight: 405.92308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H12ClN3S2/c22-14-11-9-13(10-12-14)19-15-5-1-2-6-16(15)20(25-24-19)27-21-23-17-7-3-4-8-18(17)26-21/h1-12H