2-azanyl-4-ethyl-6-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-ethyl-6-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-ethyl-6-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-ethyl-6-[[2-(4-nitrophenyl)-2-oxoethyl]thio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-ethyl-6-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-ethyl-6-[[2-keto-2-(4-nitrophenyl)ethyl]thio]dinicotinonitrile Formula: C17H13N5O3S MolecularWeight: 367.38182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N)C#N

Isomeric SMILES

CCC1=C(C(=NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C17H13N5O3S/c1-2-12-13(7-18)16(20)21-17(14(12)8-19)26-9-15(23)10-3-5-11(6-4-10)22(24)25/h3-6H,2,9H2,1H3,(H2,20,21)