1-(3-nitrophenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-(3-nitrophenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Openeye Name: 1-(3-nitrophenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea CAS Name: 1-(3-nitrophenyl)-3-[3-(1-pyrazolylmethyl)phenyl]thiourea IUPAC Name: 1-(3-nitrophenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Traditional Name: 1-(3-nitrophenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])CN3C=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])CN3C=CC=N3

InChI

InChI=1S/C17H15N5O2S/c23-22(24)16-7-2-6-15(11-16)20-17(25)19-14-5-1-4-13(10-14)12-21-9-3-8-18-21/h1-11H,12H2,(H2,19,20,25)