1-(2-chloranyl-5-nitro-phenyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[2-[(2-cyanophenyl)methylthio]ethyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[2-[(2-cyanobenzyl)thio]ethyl]thiourea Formula: C17H15ClN4O2S2 MolecularWeight: 406.9096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O2S2/c18-15-6-5-14(22(23)24)9-16(15)21-17(25)20-7-8-26-11-13-4-2-1-3-12(13)10-19/h1-6,9H,7-8,11H2,(H2,20,21,25)