6-(1,3-benzothiazol-2-ylamino)-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile

Systemtic Name: 6-(1,3-benzothiazol-2-ylamino)-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile Openeye Name: 6-(1,3-benzothiazol-2-ylamino)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile CAS Name: 6-(1,3-benzothiazol-2-ylamino)-5-methyl-4-(4-phenoxyanilino)-3-pyrrolo[1,2-b]pyridazinecarbonitrile IUPAC Name: 6-(1,3-benzothiazol-2-ylamino)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Traditional Name: 6-(1,3-benzothiazol-2-ylamino)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Formula: C28H20N6OS MolecularWeight: 488.563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1NC3=NC4=CC=CC=C4S3)C#N)NC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1NC3=NC4=CC=CC=C4S3)C#N)NC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C28H20N6OS/c1-18-24(33-28-32-23-9-5-6-10-25(23)36-28)17-34-27(18)26(19(15-29)16-30-34)31-20-11-13-22(14-12-20)35-21-7-3-2-4-8-21/h2-14,16-17,31H,1H3,(H,32,33)