3-(2-chloranyl-5-nitro-phenyl)-1-ethyl-1-(2-methylprop-2-enyl)thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-ethyl-1-(2-methylprop-2-enyl)thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-ethyl-1-(2-methylallyl)thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-ethyl-1-(2-methylprop-2-enyl)thiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-ethyl-1-(2-methylprop-2-enyl)thiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-ethyl-1-(2-methylallyl)thiourea Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O2S/c1-4-16(8-9(2)3)13(20)15-12-7-10(17(18)19)5-6-11(12)14/h5-7H,2,4,8H2,1,3H3,(H,15,20)