2-[[(4-bromophenyl)-methyl-oxidanylidene-$l^{6}-sulfanylidene]amino]-N,N-diethyl-ethanamine hydrate

Systemtic Name: 2-[[(4-bromophenyl)-methyl-oxidanylidene-$l^{6}-sulfanylidene]amino]-N,N-diethyl-ethanamine hydrate Openeye Name: 2-[[(4-bromophenyl)-methyl-oxo-$l^{6}-sulfanylidene]amino]-N,N-diethyl-ethanamine hydrate CAS Name: 2-[[(4-bromophenyl)-methyl-oxo-$l^{6}-sulfanylidene]amino]-N,N-diethylethanamine hydrate IUPAC Name: 2-[[(4-bromophenyl)-methyl-oxo-$l^{6}-sulfanylidene]amino]-N,N-diethylethanamine hydrate Traditional Name: 2-[[(4-bromophenyl)-keto-methyl-persulfuranylidene]amino]ethyl-diethyl-amine hydrate Formula: C13H23BrN2O2S MolecularWeight: 351.30292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN=S(=O)(C)C1=CC=C(C=C1)Br.O

Isomeric SMILES

CCN(CC)CCN=S(=O)(C)C1=CC=C(C=C1)Br.O

InChI

InChI=1S/C13H21BrN2OS.H2O/c1-4-16(5-2)11-10-15-18(3,17)13-8-6-12(14)7-9-13;/h6-9H,4-5,10-11H2,1-3H3;1H2