1-(4-chloranyl-2-methyl-phenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea

Systemtic Name: 1-(4-chloranyl-2-methyl-phenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea Openeye Name: 1-(4-chloro-2-methyl-phenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea CAS Name: 1-(4-chloro-2-methylphenyl)-3-[2-[(2,4-dinitrophenyl)thio]phenyl]urea IUPAC Name: 1-(4-chloro-2-methylphenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea Traditional Name: 1-(4-chloro-2-methyl-phenyl)-3-[2-[(2,4-dinitrophenyl)thio]phenyl]urea Formula: C20H15ClN4O5S MolecularWeight: 458.8749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)NC2=CC=CC=C2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)NC2=CC=CC=C2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN4O5S/c1-12-10-13(21)6-8-15(12)22-20(26)23-16-4-2-3-5-18(16)31-19-9-7-14(24(27)28)11-17(19)25(29)30/h2-11H,1H3,(H2,22,23,26)