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

Systemtic Name: N1-(1,3-benzothiazol-6-yl)-N4-(3-bromophenyl)phthalazine-1,4-diamine Openeye Name: N1-(1,3-benzothiazol-6-yl)-N4-(3-bromophenyl)phthalazine-1,4-diamine CAS Name: N1-(1,3-benzothiazol-6-yl)-N4-(3-bromophenyl)phthalazine-1,4-diamine IUPAC Name: 1-N-(1,3-benzothiazol-6-yl)-4-N-(3-bromophenyl)phthalazine-1,4-diamine Traditional Name: 1,3-benzothiazol-6-yl-[4-(3-bromoanilino)phthalazin-1-yl]amine Formula: C21H14BrN5S MolecularWeight: 448.33836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2NC3=CC4=C(C=C3)N=CS4)NC5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=CC4=C(C=C3)N=CS4)NC5=CC(=CC=C5)Br

InChI

InChI=1S/C21H14BrN5S/c22-13-4-3-5-14(10-13)24-20-16-6-1-2-7-17(16)21(27-26-20)25-15-8-9-18-19(11-15)28-12-23-18/h1-12H,(H,24,26)(H,25,27)