1-butyl-3-(4-chloranyl-3-nitro-phenyl)thiourea

Systemtic Name: 1-butyl-3-(4-chloranyl-3-nitro-phenyl)thiourea Openeye Name: 1-butyl-3-(4-chloro-3-nitro-phenyl)thiourea CAS Name: 1-butyl-3-(4-chloro-3-nitrophenyl)thiourea IUPAC Name: 1-butyl-3-(4-chloro-3-nitrophenyl)thiourea Traditional Name: 1-butyl-3-(4-chloro-3-nitro-phenyl)thiourea Formula: C11H14ClN3O2S MolecularWeight: 287.76576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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