S-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl) 2,4-dimethylbenzenecarbothioate

Systemtic Name: S-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl) 2,4-dimethylbenzenecarbothioate Openeye Name: S-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl) 2,4-dimethylbenzenecarbothioate CAS Name: 2,4-dimethylbenzenecarbothioic acid S-(6-amino-3,5-dicyano-2-pyridin-1-iumyl) ester IUPAC Name: S-(6-amino-3,5-dicyanopyridin-1-ium-2-yl) 2,4-dimethylbenzenecarbothioate Traditional Name: 2,4-dimethylthiobenzoic acid S-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl) ester Formula: C16H13N4OS+ MolecularWeight: 309.36562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N)C

InChI

InChI=1S/C16H12N4OS/c1-9-3-4-13(10(2)5-9)16(21)22-15-12(8-18)6-11(7-17)14(19)20-15/h3-6H,1-2H3,(H2,19,20)/p+1