1-(2-methyl-5-nitro-phenyl)-3-(2-phenylsulfanylethyl)urea

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)-3-(2-phenylsulfanylethyl)urea Openeye Name: 1-(2-methyl-5-nitro-phenyl)-3-(2-phenylsulfanylethyl)urea CAS Name: 1-(2-methyl-5-nitrophenyl)-3-[2-(phenylthio)ethyl]urea IUPAC Name: 1-(2-methyl-5-nitrophenyl)-3-(2-phenylsulfanylethyl)urea Traditional Name: 1-(2-methyl-5-nitro-phenyl)-3-[2-(phenylthio)ethyl]urea Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O3S/c1-12-7-8-13(19(21)22)11-15(12)18-16(20)17-9-10-23-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H2,17,18,20)