1-tert-butyl-3-(3-chloranyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-tert-butyl-3-(3-chloranyl-5-nitro-phenyl)thiourea Openeye Name: 1-tert-butyl-3-(3-chloro-5-nitro-phenyl)thiourea CAS Name: 1-tert-butyl-3-(3-chloro-5-nitrophenyl)thiourea IUPAC Name: 1-tert-butyl-3-(3-chloro-5-nitrophenyl)thiourea Traditional Name: 1-tert-butyl-3-(3-chloro-5-nitro-phenyl)thiourea Formula: C11H14ClN3O2S MolecularWeight: 287.76576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClN3O2S/c1-11(2,3)14-10(18)13-8-4-7(12)5-9(6-8)15(16)17/h4-6H,1-3H3,(H2,13,14,18)