6-azanyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(4-phenyl-1,3-thiazol-2-yl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-azanyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(4-phenyl-1,3-thiazol-2-yl)pyridin-1-ium-3-carbonitrile Openeye Name: 6-amino-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-5-(4-phenylthiazol-2-yl)pyridin-1-ium-3-carbonitrile CAS Name: 6-amino-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-5-(4-phenyl-2-thiazolyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-amino-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(4-phenyl-1,3-thiazol-2-yl)pyridin-1-ium-3-carbonitrile Traditional Name: 6-amino-2-[(3,5-dimethylisoxazol-4-yl)methylthio]-5-(4-phenylthiazol-2-yl)pyridin-1-ium-3-carbonitrile Formula: C21H18N5OS2+ MolecularWeight: 420.53052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=[NH+]C(=C(C=C2C#N)C3=NC(=CS3)C4=CC=CC=C4)N

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=[NH+]C(=C(C=C2C#N)C3=NC(=CS3)C4=CC=CC=C4)N

InChI

InChI=1S/C21H17N5OS2/c1-12-17(13(2)27-26-12)10-28-20-15(9-22)8-16(19(23)25-20)21-24-18(11-29-21)14-6-4-3-5-7-14/h3-8,11H,10H2,1-2H3,(H2,23,25)/p+1