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

Systemtic Name: 3-[3-(6-chloranyl-3,5-dinitro-pyrazin-2-yl)sulfanyl-5-methyl-phenyl]-1,1-dipropyl-urea Openeye Name: 3-[3-(6-chloro-3,5-dinitro-pyrazin-2-yl)sulfanyl-5-methyl-phenyl]-1,1-dipropyl-urea CAS Name: 3-[3-[(6-chloro-3,5-dinitro-2-pyrazinyl)thio]-5-methylphenyl]-1,1-dipropylurea IUPAC Name: 3-[3-(6-chloro-3,5-dinitropyrazin-2-yl)sulfanyl-5-methylphenyl]-1,1-dipropylurea Traditional Name: 3-[3-[(6-chloro-3,5-dinitro-pyrazin-2-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=C(N=C(C(=N2)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C(=O)NC1=CC(=CC(=C1)C)SC2=C(N=C(C(=N2)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

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