1-butyl-3-(2-chloranyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-butyl-3-(2-chloranyl-5-nitro-phenyl)thiourea Openeye Name: 1-butyl-3-(2-chloro-5-nitro-phenyl)thiourea CAS Name: 1-butyl-3-(2-chloro-5-nitrophenyl)thiourea IUPAC Name: 1-butyl-3-(2-chloro-5-nitrophenyl)thiourea Traditional Name: 1-butyl-3-(2-chloro-5-nitro-phenyl)thiourea Formula: C11H14ClN3O2S MolecularWeight: 287.76576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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