1-(2-methyl-5-nitro-phenyl)-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-(2-methyl-5-nitro-phenyl)-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-(2-methyl-5-nitrophenyl)-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-(2-methyl-5-nitrophenyl)-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-(2-methyl-5-nitro-phenyl)-3-[3-(methylthio)propyl]thiourea Formula: C12H17N3O2S2 MolecularWeight: 299.41228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCCCSC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCCCSC

InChI

InChI=1S/C12H17N3O2S2/c1-9-4-5-10(15(16)17)8-11(9)14-12(18)13-6-3-7-19-2/h4-5,8H,3,6-7H2,1-2H3,(H2,13,14,18)