1-(2-chloranyl-5-nitro-phenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea Formula: C13H14ClN5O2S MolecularWeight: 339.80056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H14ClN5O2S/c1-7-12(8(2)18(3)17-7)16-13(22)15-11-6-9(19(20)21)4-5-10(11)14/h4-6H,1-3H3,(H2,15,16,22)