4-[(3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylamino]benzenecarbonitrile

Systemtic Name: 4-[(3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylamino]benzenecarbonitrile Openeye Name: 4-[(3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylamino]benzonitrile CAS Name: 4-[(3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylamino]benzonitrile IUPAC Name: 4-[(3-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylamino]benzonitrile Traditional Name: 4-[(5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylamino]benzonitrile Formula: C15H13N4OS+ MolecularWeight: 297.35492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)CNC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)CNC3=CC=C(C=C3)C#N

InChI

InChI=1S/C15H12N4OS/c1-10-9-21-15-18-13(6-14(20)19(10)15)8-17-12-4-2-11(7-16)3-5-12/h2-6,9,17H,8H2,1H3/p+1