[4-(2-azanyl-2-ethyl-hexyl)sulfanyl-1H-pyrrol-3-yl]-phenyl-methanone

Systemtic Name: [4-(2-azanyl-2-ethyl-hexyl)sulfanyl-1H-pyrrol-3-yl]-phenyl-methanone Openeye Name: [4-(2-amino-2-ethyl-hexyl)sulfanyl-1H-pyrrol-3-yl]-phenyl-methanone CAS Name: [4-[(2-amino-2-ethylhexyl)thio]-1H-pyrrol-3-yl]-phenylmethanone IUPAC Name: [4-(2-amino-2-ethylhexyl)sulfanyl-1H-pyrrol-3-yl]-phenylmethanone Traditional Name: [4-[(2-amino-2-ethyl-hexyl)thio]-1H-pyrrol-3-yl]-phenyl-methanone Formula: C19H26N2OS MolecularWeight: 330.48754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CSC1=CNC=C1C(=O)C2=CC=CC=C2)N

Isomeric SMILES

CCCCC(CC)(CSC1=CNC=C1C(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C19H26N2OS/c1-3-5-11-19(20,4-2)14-23-17-13-21-12-16(17)18(22)15-9-7-6-8-10-15/h6-10,12-13,21H,3-5,11,14,20H2,1-2H3