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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-pentyl-thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-pentyl-thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-pentylthiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-pentylthiourea Traditional Name: 1-amyl-3-(2-chloro-5-nitro-phenyl)thiourea Formula: C12H16ClN3O2S MolecularWeight: 301.79234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3O2S/c1-2-3-4-7-14-12(19)15-11-8-9(16(17)18)5-6-10(11)13/h5-6,8H,2-4,7H2,1H3,(H2,14,15,19)