2-azanyl-4-(4-ethylphenyl)-6-(2-methanoyl-4-nitro-phenyl)sulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-ethylphenyl)-6-(2-methanoyl-4-nitro-phenyl)sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-ethylphenyl)-6-(2-formyl-4-nitro-phenyl)sulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-ethylphenyl)-6-[(2-formyl-4-nitrophenyl)thio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-ethylphenyl)-6-(2-formyl-4-nitrophenyl)sulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-ethylphenyl)-6-[(2-formyl-4-nitro-phenyl)thio]dinicotinonitrile Formula: C22H15N5O3S MolecularWeight: 429.4512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)N)C#N

InChI

InChI=1S/C22H15N5O3S/c1-2-13-3-5-14(6-4-13)20-17(10-23)21(25)26-22(18(20)11-24)31-19-8-7-16(27(29)30)9-15(19)12-28/h3-9,12H,2H2,1H3,(H2,25,26)