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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-hexyl-thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-hexyl-thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-hexylthiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-hexylthiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-hexyl-thiourea Formula: C13H18ClN3O2S MolecularWeight: 315.81892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O2S/c1-2-3-4-5-8-15-13(20)16-12-9-10(17(18)19)6-7-11(12)14/h6-7,9H,2-5,8H2,1H3,(H2,15,16,20)