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

Systemtic Name: 4-(4-tert-butylphenyl)-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(4-tert-butylphenyl)-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(4-tert-butylphenyl)-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(4-tert-butylphenyl)-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(4-tert-butylphenyl)-2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-6-phenyl-nicotinonitrile Formula: C30H25N3O3S MolecularWeight: 507.6028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C30H25N3O3S/c1-30(2,3)23-13-9-20(10-14-23)25-17-27(21-7-5-4-6-8-21)32-29(26(25)18-31)37-19-28(34)22-11-15-24(16-12-22)33(35)36/h4-17H,19H2,1-3H3