4-(3-bromophenyl)sulfanyl-5-nitro-thiophene-2-carbonitrile; N,N-diethylethanamine

Systemtic Name: 4-(3-bromophenyl)sulfanyl-5-nitro-thiophene-2-carbonitrile; N,N-diethylethanamine Openeye Name: 4-(3-bromophenyl)sulfanyl-5-nitro-thiophene-2-carbonitrile; N,N-diethylethanamine CAS Name: 4-[(3-bromophenyl)thio]-5-nitro-2-thiophenecarbonitrile; N,N-diethylethanamine IUPAC Name: 4-(3-bromophenyl)sulfanyl-5-nitrothiophene-2-carbonitrile; N,N-diethylethanamine Traditional Name: 4-[(3-bromophenyl)thio]-5-nitro-thiophene-2-carbonitrile; triethylamine Formula: C17H20BrN3O2S2 MolecularWeight: 442.3936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC(=CC(=C1)Br)SC2=C(SC(=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC.C1=CC(=CC(=C1)Br)SC2=C(SC(=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C11H5BrN2O2S2.C6H15N/c12-7-2-1-3-8(4-7)17-10-5-9(6-13)18-11(10)14(15)16;1-4-7(5-2)6-3/h1-5H;4-6H2,1-3H3