1-(3-nitrophenyl)-3-(3-pyrazol-1-ylpropyl)thiourea

Systemtic Name: 1-(3-nitrophenyl)-3-(3-pyrazol-1-ylpropyl)thiourea Openeye Name: 1-(3-nitrophenyl)-3-(3-pyrazol-1-ylpropyl)thiourea CAS Name: 1-(3-nitrophenyl)-3-[3-(1-pyrazolyl)propyl]thiourea IUPAC Name: 1-(3-nitrophenyl)-3-(3-pyrazol-1-ylpropyl)thiourea Traditional Name: 1-(3-nitrophenyl)-3-(3-pyrazol-1-ylpropyl)thiourea Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NCCCN2C=CC=N2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NCCCN2C=CC=N2

InChI

InChI=1S/C13H15N5O2S/c19-18(20)12-5-1-4-11(10-12)16-13(21)14-6-2-8-17-9-3-7-15-17/h1,3-5,7,9-10H,2,6,8H2,(H2,14,16,21)