3-[3-(6-chloranyl-4,5-dinitro-pyridin-2-yl)sulfanyl-5-methyl-phenyl]-1,1-dipropyl-urea

Systemtic Name: 3-[3-(6-chloranyl-4,5-dinitro-pyridin-2-yl)sulfanyl-5-methyl-phenyl]-1,1-dipropyl-urea Openeye Name: 3-[3-[(6-chloro-4,5-dinitro-2-pyridyl)sulfanyl]-5-methyl-phenyl]-1,1-dipropyl-urea CAS Name: 3-[3-[(6-chloro-4,5-dinitro-2-pyridinyl)thio]-5-methylphenyl]-1,1-dipropylurea IUPAC Name: 3-[3-(6-chloro-4,5-dinitropyridin-2-yl)sulfanyl-5-methylphenyl]-1,1-dipropylurea Traditional Name: 3-[3-[(6-chloro-4,5-dinitro-2-pyridyl)thio]-5-methyl-phenyl]-1,1-dipropyl-urea Formula: C19H22ClN5O5S MolecularWeight: 467.92648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN5O5S/c1-4-6-23(7-5-2)19(26)21-13-8-12(3)9-14(10-13)31-16-11-15(24(27)28)17(25(29)30)18(20)22-16/h8-11H,4-7H2,1-3H3,(H,21,26)