2-[4-(1,3-benzothiazol-6-ylamino)phthalazin-1-yl]-2-pyridin-4-yl-ethanenitrile

Systemtic Name: 2-[4-(1,3-benzothiazol-6-ylamino)phthalazin-1-yl]-2-pyridin-4-yl-ethanenitrile Openeye Name: 2-[4-(1,3-benzothiazol-6-ylamino)phthalazin-1-yl]-2-(4-pyridyl)acetonitrile CAS Name: 2-[4-(1,3-benzothiazol-6-ylamino)-1-phthalazinyl]-2-pyridin-4-ylacetonitrile IUPAC Name: 2-[4-(1,3-benzothiazol-6-ylamino)phthalazin-1-yl]-2-pyridin-4-ylacetonitrile Traditional Name: 2-[4-(1,3-benzothiazol-6-ylamino)phthalazin-1-yl]-2-(4-pyridyl)acetonitrile Formula: C22H14N6S MolecularWeight: 394.45176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2NC3=CC4=C(C=C3)N=CS4)C(C#N)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=CC4=C(C=C3)N=CS4)C(C#N)C5=CC=NC=C5

InChI

InChI=1S/C22H14N6S/c23-12-18(14-7-9-24-10-8-14)21-16-3-1-2-4-17(16)22(28-27-21)26-15-5-6-19-20(11-15)29-13-25-19/h1-11,13,18H,(H,26,28)