1-(2-chloranyl-5-nitro-phenyl)-3-(2-cyclohexylpyrazol-3-yl)thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-(2-cyclohexylpyrazol-3-yl)thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-(2-cyclohexylpyrazol-3-yl)thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-(2-cyclohexyl-3-pyrazolyl)thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-(2-cyclohexylpyrazol-3-yl)thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-(2-cyclohexylpyrazol-3-yl)thiourea Formula: C16H18ClN5O2S MolecularWeight: 379.86442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=CC=N2)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC(CC1)N2C(=CC=N2)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H18ClN5O2S/c17-13-7-6-12(22(23)24)10-14(13)19-16(25)20-15-8-9-18-21(15)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,19,20,25)