3-[3-(6-chloranyl-4,5-dinitro-pyridazin-3-yl)sulfanyl-5-methyl-phenyl]-1,1-dipropyl-urea

Systemtic Name: 3-[3-(6-chloranyl-4,5-dinitro-pyridazin-3-yl)sulfanyl-5-methyl-phenyl]-1,1-dipropyl-urea Openeye Name: 3-[3-(6-chloro-4,5-dinitro-pyridazin-3-yl)sulfanyl-5-methyl-phenyl]-1,1-dipropyl-urea CAS Name: 3-[3-[(6-chloro-4,5-dinitro-3-pyridazinyl)thio]-5-methylphenyl]-1,1-dipropylurea IUPAC Name: 3-[3-(6-chloro-4,5-dinitropyridazin-3-yl)sulfanyl-5-methylphenyl]-1,1-dipropylurea Traditional Name: 3-[3-[(6-chloro-4,5-dinitro-pyridazin-3-yl)thio]-5-methyl-phenyl]-1,1-dipropyl-urea Formula: C18H21ClN6O5S MolecularWeight: 468.91454

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)NC1=CC(=CC(=C1)C)SC2=NN=C(C(=C2[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CCCN(CCC)C(=O)NC1=CC(=CC(=C1)C)SC2=NN=C(C(=C2[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C18H21ClN6O5S/c1-4-6-23(7-5-2)18(26)20-12-8-11(3)9-13(10-12)31-17-15(25(29)30)14(24(27)28)16(19)21-22-17/h8-10H,4-7H2,1-3H3,(H,20,26)