N1-(1,3-benzothiazol-6-yl)-N4-(3-fluoranyl-4-methyl-phenyl)phthalazine-1,4-diamine

Systemtic Name: N1-(1,3-benzothiazol-6-yl)-N4-(3-fluoranyl-4-methyl-phenyl)phthalazine-1,4-diamine Openeye Name: N1-(1,3-benzothiazol-6-yl)-N4-(3-fluoro-4-methyl-phenyl)phthalazine-1,4-diamine CAS Name: N1-(1,3-benzothiazol-6-yl)-N4-(3-fluoro-4-methylphenyl)phthalazine-1,4-diamine IUPAC Name: 1-N-(1,3-benzothiazol-6-yl)-4-N-(3-fluoro-4-methylphenyl)phthalazine-1,4-diamine Traditional Name: 1,3-benzothiazol-6-yl-[4-(3-fluoro-4-methyl-anilino)phthalazin-1-yl]amine Formula: C22H16FN5S MolecularWeight: 401.459343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)N=CS5)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)N=CS5)F

InChI

InChI=1S/C22H16FN5S/c1-13-6-7-14(10-18(13)23)25-21-16-4-2-3-5-17(16)22(28-27-21)26-15-8-9-19-20(11-15)29-12-24-19/h2-12H,1H3,(H,25,27)(H,26,28)