N-[4-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-[4-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide Openeye Name: N-[4-(4-bromo-1-methyl-pyrazol-3-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide CAS Name: N-[4-(4-bromo-1-methyl-3-pyrazolyl)phenyl]-3-[(2-pyrazinylthio)methyl]benzamide IUPAC Name: N-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide Traditional Name: N-[4-(4-bromo-1-methyl-pyrazol-3-yl)phenyl]-3-[(pyrazin-2-ylthio)methyl]benzamide Formula: C22H18BrN5OS MolecularWeight: 480.38022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=CN=C4)Br

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=CN=C4)Br

InChI

InChI=1S/C22H18BrN5OS/c1-28-13-19(23)21(27-28)16-5-7-18(8-6-16)26-22(29)17-4-2-3-15(11-17)14-30-20-12-24-9-10-25-20/h2-13H,14H2,1H3,(H,26,29)