1-butyl-3-[(Z)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]thiourea

Systemtic Name: 1-butyl-3-[(Z)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]thiourea CAS Name: 1-butyl-3-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]thiourea Formula: C13H17ClN4O2S MolecularWeight: 328.81768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN4O2S/c1-3-4-7-15-13(21)17-16-9(2)10-5-6-11(14)12(8-10)18(19)20/h5-6,8H,3-4,7H2,1-2H3,(H2,15,17,21)/b16-9-