N-(3,5-ditert-butylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-(3,5-ditert-butylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide Openeye Name: N-(3,5-ditert-butylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide CAS Name: N-(3,5-ditert-butylphenyl)-3-[(2-pyrazinylthio)methyl]benzamide IUPAC Name: N-(3,5-ditert-butylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide Traditional Name: N-(3,5-ditert-butylphenyl)-3-[(pyrazin-2-ylthio)methyl]benzamide Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=CN=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=CN=C3)C(C)(C)C

InChI

InChI=1S/C26H31N3OS/c1-25(2,3)20-13-21(26(4,5)6)15-22(14-20)29-24(30)19-9-7-8-18(12-19)17-31-23-16-27-10-11-28-23/h7-16H,17H2,1-6H3,(H,29,30)