1-[bis(dimethylamino)-pyridin-1-ium-4-yl-$l^{5}-phosphanylidene]-3-(2-bromophenyl)thiourea

Systemtic Name: 1-[bis(dimethylamino)-pyridin-1-ium-4-yl-$l^{5}-phosphanylidene]-3-(2-bromophenyl)thiourea Openeye Name: 1-[bis(dimethylamino)-pyridin-1-ium-4-yl-$l^{5}-phosphanylidene]-3-(2-bromophenyl)thiourea CAS Name: 1-[bis(dimethylamino)-(4-pyridin-1-iumyl)phosphoranylidene]-3-(2-bromophenyl)thiourea IUPAC Name: 1-[bis(dimethylamino)-pyridin-1-ium-4-yl-$l^{5}-phosphanylidene]-3-(2-bromophenyl)thiourea Traditional Name: 1-[bis(dimethylamino)-pyridin-1-ium-4-yl-phosphoranylidene]-3-(2-bromophenyl)thiourea Formula: C16H22BrN5PS+ MolecularWeight: 427.322141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)P(=NC(=S)NC1=CC=CC=C1Br)(C2=CC=[NH+]C=C2)N(C)C

Isomeric SMILES

CN(C)P(=NC(=S)NC1=CC=CC=C1Br)(C2=CC=[NH+]C=C2)N(C)C

InChI

InChI=1S/C16H21BrN5PS/c1-21(2)23(22(3)4,13-9-11-18-12-10-13)20-16(24)19-15-8-6-5-7-14(15)17/h5-12H,1-4H3,(H,19,24)/p+1