3,5-bis[(4-tert-butylphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3,5-bis[(4-tert-butylphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis[(4-tert-butylphenyl)methylsulfanyl]isothiazole-4-carbonitrile CAS Name: 3,5-bis[(4-tert-butylphenyl)methylthio]-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis[(4-tert-butylphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis[(4-tert-butylbenzyl)thio]isothiazole-4-carbonitrile Formula: C26H30N2S3 MolecularWeight: 466.7248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=NS2)SCC3=CC=C(C=C3)C(C)(C)C)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=NS2)SCC3=CC=C(C=C3)C(C)(C)C)C#N

InChI

InChI=1S/C26H30N2S3/c1-25(2,3)20-11-7-18(8-12-20)16-29-23-22(15-27)24(31-28-23)30-17-19-9-13-21(14-10-19)26(4,5)6/h7-14H,16-17H2,1-6H3