S-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl) 2-(4-nitrophenyl)ethanethioate

Systemtic Name: S-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl) 2-(4-nitrophenyl)ethanethioate Openeye Name: S-(6-amino-3,5-dicyano-4-phenyl-2-pyridyl) 2-(4-nitrophenyl)ethanethioate CAS Name: 2-(4-nitrophenyl)ethanethioic acid S-(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl) ester IUPAC Name: S-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl) 2-(4-nitrophenyl)ethanethioate Traditional Name: 2-(4-nitrophenyl)ethanethioic acid S-(6-amino-3,5-dicyano-4-phenyl-2-pyridyl) ester Formula: C21H13N5O3S MolecularWeight: 415.42462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C21H13N5O3S/c22-11-16-19(14-4-2-1-3-5-14)17(12-23)21(25-20(16)24)30-18(27)10-13-6-8-15(9-7-13)26(28)29/h1-9H,10H2,(H2,24,25)