4-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)pyridin-3-yl]methyl-pyridin-3-yl-amino]benzenecarbonitrile

Systemtic Name: 4-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)pyridin-3-yl]methyl-pyridin-3-yl-amino]benzenecarbonitrile Openeye Name: 4-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-pyridyl]methyl-(3-pyridyl)amino]benzonitrile CAS Name: 4-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-pyridinyl]methyl-(3-pyridinyl)amino]benzonitrile IUPAC Name: 4-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)pyridin-3-yl]methyl-pyridin-3-ylamino]benzonitrile Traditional Name: 4-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-pyridyl]methyl-(3-pyridyl)amino]benzonitrile Formula: C26H21N5S MolecularWeight: 435.54344

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N1C3=C(C=CC=N3)CN(C4=CC=C(C=C4)C#N)C5=CN=CC=C5

Isomeric SMILES

C1CSC2=CC=CC=C2N1C3=C(C=CC=N3)CN(C4=CC=C(C=C4)C#N)C5=CN=CC=C5

InChI

InChI=1S/C26H21N5S/c27-17-20-9-11-22(12-10-20)31(23-6-4-13-28-18-23)19-21-5-3-14-29-26(21)30-15-16-32-25-8-2-1-7-24(25)30/h1-14,18H,15-16,19H2