3-[[[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,3-thiazol-2-yl]amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,3-thiazol-2-yl]amino]methyl]benzenecarbonitrile Openeye Name: 3-[[[4-(1,3-benzodioxol-5-yl)-5-(2-pyridyl)thiazol-2-yl]amino]methyl]benzonitrile CAS Name: 3-[[[4-(1,3-benzodioxol-5-yl)-5-(2-pyridinyl)-2-thiazolyl]amino]methyl]benzonitrile IUPAC Name: 3-[[[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,3-thiazol-2-yl]amino]methyl]benzonitrile Traditional Name: 3-[[[4-(1,3-benzodioxol-5-yl)-5-(2-pyridyl)thiazol-2-yl]amino]methyl]benzonitrile Formula: C23H16N4O2S MolecularWeight: 412.46374

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(SC(=N3)NCC4=CC=CC(=C4)C#N)C5=CC=CC=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(SC(=N3)NCC4=CC=CC(=C4)C#N)C5=CC=CC=N5

InChI

InChI=1S/C23H16N4O2S/c24-12-15-4-3-5-16(10-15)13-26-23-27-21(22(30-23)18-6-1-2-9-25-18)17-7-8-19-20(11-17)29-14-28-19/h1-11H,13-14H2,(H,26,27)