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

Systemtic Name: 1-(3-bromophenyl)-3-[(5-nitro-2-oxidanyl-phenyl)methyl]thiourea Openeye Name: 1-(3-bromophenyl)-3-[(2-hydroxy-5-nitro-phenyl)methyl]thiourea CAS Name: 1-(3-bromophenyl)-3-[(2-hydroxy-5-nitrophenyl)methyl]thiourea IUPAC Name: 1-(3-bromophenyl)-3-[(2-hydroxy-5-nitrophenyl)methyl]thiourea Traditional Name: 1-(3-bromophenyl)-3-(2-hydroxy-5-nitro-benzyl)thiourea Formula: C14H12BrN3O3S MolecularWeight: 382.23238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H12BrN3O3S/c15-10-2-1-3-11(7-10)17-14(22)16-8-9-6-12(18(20)21)4-5-13(9)19/h1-7,19H,8H2,(H2,16,17,22)