1-[3,5-bis(chloranyl)phenyl]-3-[(5-nitro-2-oxidanyl-phenyl)methyl]thiourea

Systemtic Name: 1-[3,5-bis(chloranyl)phenyl]-3-[(5-nitro-2-oxidanyl-phenyl)methyl]thiourea Openeye Name: 1-(3,5-dichlorophenyl)-3-[(2-hydroxy-5-nitro-phenyl)methyl]thiourea CAS Name: 1-(3,5-dichlorophenyl)-3-[(2-hydroxy-5-nitrophenyl)methyl]thiourea IUPAC Name: 1-(3,5-dichlorophenyl)-3-[(2-hydroxy-5-nitrophenyl)methyl]thiourea Traditional Name: 1-(3,5-dichlorophenyl)-3-(2-hydroxy-5-nitro-benzyl)thiourea Formula: C14H11Cl2N3O3S MolecularWeight: 372.22644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CNC(=S)NC2=CC(=CC(=C2)Cl)Cl)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CNC(=S)NC2=CC(=CC(=C2)Cl)Cl)O

InChI

InChI=1S/C14H11Cl2N3O3S/c15-9-4-10(16)6-11(5-9)18-14(23)17-7-8-3-12(19(21)22)1-2-13(8)20/h1-6,20H,7H2,(H2,17,18,23)