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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[2-(phenylmethylsulfanyl)ethyl]thiourea Openeye Name: 1-(2-benzylsulfanylethyl)-3-(2-chloro-5-nitro-phenyl)thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[2-(phenylmethylthio)ethyl]thiourea IUPAC Name: 1-(2-benzylsulfanylethyl)-3-(2-chloro-5-nitrophenyl)thiourea Traditional Name: 1-[2-(benzylthio)ethyl]-3-(2-chloro-5-nitro-phenyl)thiourea Formula: C16H16ClN3O2S2 MolecularWeight: 381.90014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O2S2/c17-14-7-6-13(20(21)22)10-15(14)19-16(23)18-8-9-24-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H2,18,19,23)