1-[(3-bromophenyl)amino]-3-(2-chloranyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-[(3-bromophenyl)amino]-3-(2-chloranyl-5-nitro-phenyl)thiourea Openeye Name: 1-(3-bromoanilino)-3-(2-chloro-5-nitro-phenyl)thiourea CAS Name: 1-(3-bromoanilino)-3-(2-chloro-5-nitrophenyl)thiourea IUPAC Name: 1-(3-bromoanilino)-3-(2-chloro-5-nitrophenyl)thiourea Traditional Name: 1-(3-bromoanilino)-3-(2-chloro-5-nitro-phenyl)thiourea Formula: C13H10BrClN4O2S MolecularWeight: 401.6661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrClN4O2S/c14-8-2-1-3-9(6-8)17-18-13(22)16-12-7-10(19(20)21)4-5-11(12)15/h1-7,17H,(H2,16,18,22)