1-(4-nitrophenyl)-3-[2-(phenylmethylsulfanyl)ethyl]thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-[2-(phenylmethylsulfanyl)ethyl]thiourea Openeye Name: 1-(2-benzylsulfanylethyl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(4-nitrophenyl)-3-[2-(phenylmethylthio)ethyl]thiourea IUPAC Name: 1-(2-benzylsulfanylethyl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-[2-(benzylthio)ethyl]-3-(4-nitrophenyl)thiourea Formula: C16H17N3O2S2 MolecularWeight: 347.45508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S2/c20-19(21)15-8-6-14(7-9-15)18-16(22)17-10-11-23-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,17,18,22)