N-(3-tert-butylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-(3-tert-butylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide Openeye Name: N-(3-tert-butylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide CAS Name: N-(3-tert-butylphenyl)-3-[(2-pyrazinylthio)methyl]benzamide IUPAC Name: N-(3-tert-butylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide Traditional Name: N-(3-tert-butylphenyl)-3-[(pyrazin-2-ylthio)methyl]benzamide Formula: C22H23N3OS MolecularWeight: 377.50252

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3OS/c1-22(2,3)18-8-5-9-19(13-18)25-21(26)17-7-4-6-16(12-17)15-27-20-14-23-10-11-24-20/h4-14H,15H2,1-3H3,(H,25,26)