3-methyl-5-[2-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]ethenyl]-4-nitro-1,2-oxazole

Systemtic Name: 3-methyl-5-[2-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]ethenyl]-4-nitro-1,2-oxazole Openeye Name: 3-methyl-4-nitro-5-[2-[3-nitro-4-(p-tolylsulfanyl)phenyl]vinyl]isoxazole CAS Name: 3-methyl-5-[2-[4-[(4-methylphenyl)thio]-3-nitrophenyl]ethenyl]-4-nitroisoxazole IUPAC Name: 3-methyl-5-[2-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]ethenyl]-4-nitro-1,2-oxazole Traditional Name: 3-methyl-4-nitro-5-[2-[3-nitro-4-(p-tolylthio)phenyl]vinyl]isoxazole Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=CC3=C(C(=NO3)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=CC3=C(C(=NO3)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5S/c1-12-3-7-15(8-4-12)28-18-10-6-14(11-16(18)21(23)24)5-9-17-19(22(25)26)13(2)20-27-17/h3-11H,1-2H3