1-[(E)-[5-(4-chloranyl-3-nitro-phenyl)furan-2-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[5-(4-chloranyl-3-nitro-phenyl)furan-2-yl]methylideneamino]thiourea Openeye Name: [(E)-[5-(4-chloro-3-nitro-phenyl)-2-furyl]methyleneamino]thiourea CAS Name: [(E)-[5-(4-chloro-3-nitrophenyl)-2-furanyl]methylideneamino]thiourea IUPAC Name: [(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]thiourea Traditional Name: [(E)-[5-(4-chloro-3-nitro-phenyl)-2-furyl]methyleneamino]thiourea Formula: C12H9ClN4O3S MolecularWeight: 324.74286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC=C(O2)C=NNC(=S)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=CC=C(O2)/C=N/NC(=S)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H9ClN4O3S/c13-9-3-1-7(5-10(9)17(18)19)11-4-2-8(20-11)6-15-16-12(14)21/h1-6H,(H3,14,16,21)/b15-6+