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

Systemtic Name: 1-methyl-3-[(5-nitro-2-oxidanyl-phenyl)methyl]thiourea Openeye Name: 1-[(2-hydroxy-5-nitro-phenyl)methyl]-3-methyl-thiourea CAS Name: 1-[(2-hydroxy-5-nitrophenyl)methyl]-3-methylthiourea IUPAC Name: 1-[(2-hydroxy-5-nitrophenyl)methyl]-3-methylthiourea Traditional Name: 1-(2-hydroxy-5-nitro-benzyl)-3-methyl-thiourea Formula: C9H11N3O3S MolecularWeight: 241.26694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCC1=C(C=CC(=C1)[N+](=O)[O-])O

Isomeric SMILES

CNC(=S)NCC1=C(C=CC(=C1)[N+](=O)[O-])O

InChI

InChI=1S/C9H11N3O3S/c1-10-9(16)11-5-6-4-7(12(14)15)2-3-8(6)13/h2-4,13H,5H2,1H3,(H2,10,11,16)