4-azanyl-2-methyl-6-oxidanyl-5-(thiolan-1-ium-1-yl)benzene-1,3-dicarbonitrile

Systemtic Name: 4-azanyl-2-methyl-6-oxidanyl-5-(thiolan-1-ium-1-yl)benzene-1,3-dicarbonitrile Openeye Name: 4-amino-6-hydroxy-2-methyl-5-tetrahydrothiophen-1-ium-1-yl-benzene-1,3-dicarbonitrile CAS Name: 4-amino-6-hydroxy-2-methyl-5-(1-thiolan-1-iumyl)benzene-1,3-dicarbonitrile IUPAC Name: 4-amino-6-hydroxy-2-methyl-5-(thiolan-1-ium-1-yl)benzene-1,3-dicarbonitrile Traditional Name: 4-amino-6-hydroxy-2-methyl-5-tetrahydrothiophen-1-ium-1-yl-isophthalonitrile Formula: C13H14N3OS+ MolecularWeight: 260.33476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C#N)O)[S+]2CCCC2)N)C#N

Isomeric SMILES

CC1=C(C(=C(C(=C1C#N)O)[S+]2CCCC2)N)C#N

InChI

InChI=1S/C13H13N3OS/c1-8-9(6-14)11(16)13(12(17)10(8)7-15)18-4-2-3-5-18/h2-5,16H2,1H3/p+1