1-(3-chloranyl-4-methyl-phenyl)-3-(2-nitro-5-propylsulfanyl-phenyl)thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-(2-nitro-5-propylsulfanyl-phenyl)thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-(2-nitro-5-propylsulfanyl-phenyl)thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[2-nitro-5-(propylthio)phenyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-(2-nitro-5-propylsulfanylphenyl)thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[2-nitro-5-(propylthio)phenyl]thiourea Formula: C17H18ClN3O2S2 MolecularWeight: 395.92672

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=S)NC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=S)NC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C17H18ClN3O2S2/c1-3-8-25-13-6-7-16(21(22)23)15(10-13)20-17(24)19-12-5-4-11(2)14(18)9-12/h4-7,9-10H,3,8H2,1-2H3,(H2,19,20,24)