6-azanyl-2-(oxan-2-ylmethylsulfanyl)-5-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carbonitrile

Systemtic Name: 6-azanyl-2-(oxan-2-ylmethylsulfanyl)-5-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carbonitrile Openeye Name: 6-amino-5-(4-phenylthiazol-2-yl)-2-(tetrahydropyran-2-ylmethylsulfanyl)pyridine-3-carbonitrile CAS Name: 6-amino-2-(2-oxanylmethylthio)-5-(4-phenyl-2-thiazolyl)-3-pyridinecarbonitrile IUPAC Name: 6-amino-2-(oxan-2-ylmethylsulfanyl)-5-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carbonitrile Traditional Name: 6-amino-5-(4-phenylthiazol-2-yl)-2-(tetrahydropyran-2-ylmethylthio)nicotinonitrile Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NC(=C(C=C2C#N)C3=NC(=CS3)C4=CC=CC=C4)N

Isomeric SMILES

C1CCOC(C1)CSC2=NC(=C(C=C2C#N)C3=NC(=CS3)C4=CC=CC=C4)N

InChI

InChI=1S/C21H20N4OS2/c22-11-15-10-17(21-24-18(13-28-21)14-6-2-1-3-7-14)19(23)25-20(15)27-12-16-8-4-5-9-26-16/h1-3,6-7,10,13,16H,4-5,8-9,12H2,(H2,23,25)