2-(3-bromanylpyrrol-1-yl)sulfonyl-6-methyl-benzenecarbonitrile

Systemtic Name: 2-(3-bromanylpyrrol-1-yl)sulfonyl-6-methyl-benzenecarbonitrile Openeye Name: 2-(3-bromopyrrol-1-yl)sulfonyl-6-methyl-benzonitrile CAS Name: 2-[(3-bromo-1-pyrrolyl)sulfonyl]-6-methylbenzonitrile IUPAC Name: 2-(3-bromopyrrol-1-yl)sulfonyl-6-methylbenzonitrile Traditional Name: 2-(3-bromopyrrol-1-yl)sulfonyl-6-methyl-benzonitrile Formula: C12H9BrN2O2S MolecularWeight: 325.18106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)S(=O)(=O)N2C=CC(=C2)Br)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)S(=O)(=O)N2C=CC(=C2)Br)C#N

InChI

InChI=1S/C12H9BrN2O2S/c1-9-3-2-4-12(11(9)7-14)18(16,17)15-6-5-10(13)8-15/h2-6,8H,1H3