1-(2-nitrophenyl)-3-(2-nitro-5-propylsulfanyl-phenyl)thiourea

Systemtic Name: 1-(2-nitrophenyl)-3-(2-nitro-5-propylsulfanyl-phenyl)thiourea Openeye Name: 1-(2-nitrophenyl)-3-(2-nitro-5-propylsulfanyl-phenyl)thiourea CAS Name: 1-(2-nitrophenyl)-3-[2-nitro-5-(propylthio)phenyl]thiourea IUPAC Name: 1-(2-nitrophenyl)-3-(2-nitro-5-propylsulfanylphenyl)thiourea Traditional Name: 1-(2-nitrophenyl)-3-[2-nitro-5-(propylthio)phenyl]thiourea Formula: C16H16N4O4S2 MolecularWeight: 392.45264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O4S2/c1-2-9-26-11-7-8-15(20(23)24)13(10-11)18-16(25)17-12-5-3-4-6-14(12)19(21)22/h3-8,10H,2,9H2,1H3,(H2,17,18,25)