1-[2-(4-chlorophenyl)sulfanylethyl]-3-(5-nitro-2-oxidanyl-phenyl)thiourea

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(5-nitro-2-oxidanyl-phenyl)thiourea Openeye Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-hydroxy-5-nitro-phenyl)thiourea CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(2-hydroxy-5-nitrophenyl)thiourea IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-hydroxy-5-nitrophenyl)thiourea Traditional Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(2-hydroxy-5-nitro-phenyl)thiourea Formula: C15H14ClN3O3S2 MolecularWeight: 383.87296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C15H14ClN3O3S2/c16-10-1-4-12(5-2-10)24-8-7-17-15(23)18-13-9-11(19(21)22)3-6-14(13)20/h1-6,9,20H,7-8H2,(H2,17,18,23)