1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitrophenyl)thiourea Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O2S/c1-7-11(8(2)16-15-7)14-12(20)13-9-3-5-10(6-4-9)17(18)19/h3-6H,1-2H3,(H,15,16)(H2,13,14,20)