3-(2-chloranyl-5-nitro-phenyl)-1,1-dimethyl-thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1,1-dimethyl-thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1,1-dimethyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1,1-dimethylthiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1,1-dimethylthiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1,1-dimethyl-thiourea Formula: C9H10ClN3O2S MolecularWeight: 259.7126

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C9H10ClN3O2S/c1-12(2)9(16)11-8-5-6(13(14)15)3-4-7(8)10/h3-5H,1-2H3,(H,11,16)