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

Systemtic Name: S-(6-azanyl-3,5-dicyano-pyridin-2-yl) 2,4-dimethylbenzenecarbothioate Openeye Name: S-(6-amino-3,5-dicyano-2-pyridyl) 2,4-dimethylbenzenecarbothioate CAS Name: 2,4-dimethylbenzenecarbothioic acid S-(6-amino-3,5-dicyano-2-pyridinyl) ester IUPAC Name: S-(6-amino-3,5-dicyanopyridin-2-yl) 2,4-dimethylbenzenecarbothioate Traditional Name: 2,4-dimethylthiobenzoic acid S-(6-amino-3,5-dicyano-2-pyridyl) ester Formula: C16H12N4OS MolecularWeight: 308.35768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)SC2=C(C=C(C(=N2)N)C#N)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)SC2=C(C=C(C(=N2)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)