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

Systemtic Name: 2-[3-(4-tert-butylphenyl)sulfanyl-2-oxidanyl-propyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[3-(4-tert-butylphenyl)sulfanyl-2-hydroxy-propyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[3-[(4-tert-butylphenyl)thio]-2-hydroxypropyl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-(4-tert-butylphenyl)sulfanyl-2-hydroxypropyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[[3-[(4-tert-butylphenyl)thio]-2-hydroxy-propyl]thio]-4,6-diphenyl-nicotinonitrile Formula: C31H30N2OS2 MolecularWeight: 510.7127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30N2OS2/c1-31(2,3)24-14-16-26(17-15-24)35-20-25(34)21-36-30-28(19-32)27(22-10-6-4-7-11-22)18-29(33-30)23-12-8-5-9-13-23/h4-18,25,34H,20-21H2,1-3H3