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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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