N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-[4-(4-bromophenyl)thiazol-2-yl]-2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]propanamide CAS Name: N-[4-(4-bromophenyl)-2-thiazolyl]-2-[(6-butyl-3-cyano-2-pyridinyl)thio]propanamide IUPAC Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(6-butyl-3-cyanopyridin-2-yl)sulfanylpropanamide Traditional Name: N-[4-(4-bromophenyl)thiazol-2-yl]-2-[(6-butyl-3-cyano-2-pyridyl)thio]propionamide Formula: C22H21BrN4OS2 MolecularWeight: 501.46234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H21BrN4OS2/c1-3-4-5-18-11-8-16(12-24)21(25-18)30-14(2)20(28)27-22-26-19(13-29-22)15-6-9-17(23)10-7-15/h6-11,13-14H,3-5H2,1-2H3,(H,26,27,28)