1-(2-chloranyl-5-nitro-phenyl)-3-pentan-3-yl-thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-pentan-3-yl-thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-(1-ethylpropyl)thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-pentan-3-ylthiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-pentan-3-ylthiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-(1-ethylpropyl)thiourea Formula: C12H16ClN3O2S MolecularWeight: 301.79234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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