1-butyl-3-[(Z)-(2-chloranyl-5-nitro-phenyl)methylideneamino]thiourea

Systemtic Name: 1-butyl-3-[(Z)-(2-chloranyl-5-nitro-phenyl)methylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-(2-chloro-5-nitro-phenyl)methyleneamino]thiourea CAS Name: 1-butyl-3-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-(2-chloro-5-nitro-benzylidene)amino]thiourea Formula: C12H15ClN4O2S MolecularWeight: 314.7911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCNC(=S)N/N=C\C1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H15ClN4O2S/c1-2-3-6-14-12(20)16-15-8-9-7-10(17(18)19)4-5-11(9)13/h4-5,7-8H,2-3,6H2,1H3,(H2,14,16,20)/b15-8-