1-(2-methoxy-4-nitro-phenyl)-3-(3-pyrazol-1-ylpropyl)thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-(3-pyrazol-1-ylpropyl)thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-(3-pyrazol-1-ylpropyl)thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[3-(1-pyrazolyl)propyl]thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-(3-pyrazol-1-ylpropyl)thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-(3-pyrazol-1-ylpropyl)thiourea Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCCCN2C=CC=N2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCCCN2C=CC=N2

InChI

InChI=1S/C14H17N5O3S/c1-22-13-10-11(19(20)21)4-5-12(13)17-14(23)15-6-2-8-18-9-3-7-16-18/h3-5,7,9-10H,2,6,8H2,1H3,(H2,15,17,23)