2-[(4-tert-butylphenyl)methylsulfanyl]-4,6-dithiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4,6-dithiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4,6-bis(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[(4-tert-butylphenyl)methylthio]-4,6-dithiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4,6-dithiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[(4-tert-butylbenzyl)thio]-4,6-bis(2-thienyl)nicotinonitrile Formula: C25H22N2S3 MolecularWeight: 446.65058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N

InChI

InChI=1S/C25H22N2S3/c1-25(2,3)18-10-8-17(9-11-18)16-30-24-20(15-26)19(22-6-4-12-28-22)14-21(27-24)23-7-5-13-29-23/h4-14H,16H2,1-3H3