1-[2-[2,5-bis(chloranyl)phenyl]sulfanylethyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[2-[2,5-bis(chloranyl)phenyl]sulfanylethyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[2-(2,5-dichlorophenyl)sulfanylethyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[2-[(2,5-dichlorophenyl)thio]ethyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[2-(2,5-dichlorophenyl)sulfanylethyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 1-[2-[(2,5-dichlorophenyl)thio]ethyl]-2-keto-5-nitro-nicotinonitrile Formula: C14H9Cl2N3O3S MolecularWeight: 370.21056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)SCCN2C=C(C=C(C2=O)C#N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1Cl)SCCN2C=C(C=C(C2=O)C#N)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H9Cl2N3O3S/c15-10-1-2-12(16)13(6-10)23-4-3-18-8-11(19(21)22)5-9(7-17)14(18)20/h1-2,5-6,8H,3-4H2