N1-(1,3-benzothiazol-6-yl)-N4-(3-methoxyphenyl)phthalazine-1,4-diamine

Systemtic Name: N1-(1,3-benzothiazol-6-yl)-N4-(3-methoxyphenyl)phthalazine-1,4-diamine Openeye Name: N1-(1,3-benzothiazol-6-yl)-N4-(3-methoxyphenyl)phthalazine-1,4-diamine CAS Name: N1-(1,3-benzothiazol-6-yl)-N4-(3-methoxyphenyl)phthalazine-1,4-diamine IUPAC Name: 1-N-(1,3-benzothiazol-6-yl)-4-N-(3-methoxyphenyl)phthalazine-1,4-diamine Traditional Name: 1,3-benzothiazol-6-yl-[4-(m-anisidino)phthalazin-1-yl]amine Formula: C22H17N5OS MolecularWeight: 399.46828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C22H17N5OS/c1-28-16-6-4-5-14(11-16)24-21-17-7-2-3-8-18(17)22(27-26-21)25-15-9-10-19-20(12-15)29-13-23-19/h2-13H,1H3,(H,24,26)(H,25,27)