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

Systemtic Name: 1-[bis(dimethylamino)-pyridin-4-yl-$l^{5}-phosphanylidene]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[bis(dimethylamino)-(4-pyridyl)-$l^{5}-phosphanylidene]-3-(3-nitrophenyl)thiourea CAS Name: 1-[bis(dimethylamino)-pyridin-4-ylphosphoranylidene]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[bis(dimethylamino)-pyridin-4-yl-$l^{5}-phosphanylidene]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[bis(dimethylamino)-(4-pyridyl)phosphoranylidene]-3-(3-nitrophenyl)thiourea Formula: C16H21N6O2PS MolecularWeight: 392.415701

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)P(=NC(=S)NC1=CC(=CC=C1)[N+](=O)[O-])(C2=CC=NC=C2)N(C)C

Isomeric SMILES

CN(C)P(=NC(=S)NC1=CC(=CC=C1)[N+](=O)[O-])(C2=CC=NC=C2)N(C)C

InChI

InChI=1S/C16H21N6O2PS/c1-20(2)25(21(3)4,15-8-10-17-11-9-15)19-16(26)18-13-6-5-7-14(12-13)22(23)24/h5-12H,1-4H3,(H,18,26)