1-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O3S/c1-17(2,3)15(11-21-9-5-8-18-21)20-16(26)19-13-7-6-12(22(23)24)10-14(13)25-4/h5-10,15H,11H2,1-4H3,(H2,19,20,26)