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

Systemtic Name: 2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-tert-butylphenyl)-2-oxo-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(4-tert-butylphenyl)-2-oxoethyl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(4-tert-butylphenyl)-2-keto-ethyl]thio]-4,6-diphenyl-nicotinonitrile Formula: C30H26N2OS MolecularWeight: 462.60524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C30H26N2OS/c1-30(2,3)24-16-14-23(15-17-24)28(33)20-34-29-26(19-31)25(21-10-6-4-7-11-21)18-27(32-29)22-12-8-5-9-13-22/h4-18H,20H2,1-3H3