5-ethanoyl-6-methyl-2-[(3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-[(3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[(3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[(3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[(3-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylthio]-6-methyl-nicotinonitrile Formula: C17H15N4O2S2+ MolecularWeight: 371.4566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)CSC3=NC(=C(C=C3C#N)C(=O)C)C

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)CSC3=NC(=C(C=C3C#N)C(=O)C)C

InChI

InChI=1S/C17H14N4O2S2/c1-9-7-25-17-20-13(5-15(23)21(9)17)8-24-16-12(6-18)4-14(11(3)22)10(2)19-16/h4-5,7H,8H2,1-3H3/p+1