N-(4-butan-2-ylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-(4-butan-2-ylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide Openeye Name: 3-(pyrazin-2-ylsulfanylmethyl)-N-(4-sec-butylphenyl)benzamide CAS Name: N-(4-butan-2-ylphenyl)-3-[(2-pyrazinylthio)methyl]benzamide IUPAC Name: N-(4-butan-2-ylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide Traditional Name: 3-[(pyrazin-2-ylthio)methyl]-N-(4-sec-butylphenyl)benzamide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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