1-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-3-(4-nitrophenyl)thiourea Formula: C16H21N5O2S MolecularWeight: 347.43524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CC=N1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(CN1C=CC=N1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O2S/c1-16(2,3)14(11-20-10-4-9-17-20)19-15(24)18-12-5-7-13(8-6-12)21(22)23/h4-10,14H,11H2,1-3H3,(H2,18,19,24)