1-(3-nitrophenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea

Systemtic Name: 1-(3-nitrophenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea Openeye Name: 1-(3-nitrophenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea CAS Name: 1-(3-nitrophenyl)-3-[[4-(1-pyrazolyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-nitrophenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea Traditional Name: 1-(3-nitrophenyl)-3-(4-pyrazol-1-ylbenzyl)thiourea Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC=C(C=C2)N3C=CC=N3

InChI

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