N-[3,5-bis(bromanyl)-4-methyl-phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-[3,5-bis(bromanyl)-4-methyl-phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide Openeye Name: N-(3,5-dibromo-4-methyl-phenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide CAS Name: N-(3,5-dibromo-4-methylphenyl)-3-[(2-pyrazinylthio)methyl]benzamide IUPAC Name: N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide Traditional Name: N-(3,5-dibromo-4-methyl-phenyl)-3-[(pyrazin-2-ylthio)methyl]benzamide Formula: C19H15Br2N3OS MolecularWeight: 493.2149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Br)NC(=O)C2=CC(=CC=C2)CSC3=NC=CN=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1Br)NC(=O)C2=CC(=CC=C2)CSC3=NC=CN=C3)Br

InChI

InChI=1S/C19H15Br2N3OS/c1-12-16(20)8-15(9-17(12)21)24-19(25)14-4-2-3-13(7-14)11-26-18-10-22-5-6-23-18/h2-10H,11H2,1H3,(H,24,25)