2-[(4-azanyl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-bromophenyl)butanamide

Systemtic Name: 2-[(4-azanyl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-bromophenyl)butanamide Openeye Name: 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-bromophenyl)butanamide CAS Name: 2-[(4-amino-1,3,5-triazin-2-yl)thio]-N-(2-bromophenyl)butanamide IUPAC Name: 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-bromophenyl)butanamide Traditional Name: 2-[(4-amino-s-triazin-2-yl)thio]-N-(2-bromophenyl)butyramide Formula: C13H14BrN5OS MolecularWeight: 368.25216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1Br)SC2=NC=NC(=N2)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1Br)SC2=NC=NC(=N2)N

InChI

InChI=1S/C13H14BrN5OS/c1-2-10(21-13-17-7-16-12(15)19-13)11(20)18-9-6-4-3-5-8(9)14/h3-7,10H,2H2,1H3,(H,18,20)(H2,15,16,17,19)