6-tert-butyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-tert-butyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-tert-butyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-tert-butyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-4-phenylpyridine-3-carbonitrile Traditional Name: 6-tert-butyl-2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-4-phenyl-nicotinonitrile Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O3S/c1-24(2,3)22-13-19(16-7-5-4-6-8-16)20(14-25)23(26-22)31-15-21(28)17-9-11-18(12-10-17)27(29)30/h4-13H,15H2,1-3H3