1-(2-chloranyl-5-nitro-phenyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2-chloro-5-nitro-phenyl)thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2-chloro-5-nitrophenyl)thiourea Traditional Name: 1-benzyl-3-(2-chloro-5-nitro-phenyl)thiourea Formula: C14H12ClN3O2S MolecularWeight: 321.78198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN3O2S/c15-12-7-6-11(18(19)20)8-13(12)17-14(21)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,16,17,21)