5-(isothiocyanatomethyl)-3-(5-methylsulfanyl-2-nitro-3-phenyl-phenyl)-4,5-dihydro-1,2-oxazole

Systemtic Name: 5-(isothiocyanatomethyl)-3-(5-methylsulfanyl-2-nitro-3-phenyl-phenyl)-4,5-dihydro-1,2-oxazole Openeye Name: 5-(isothiocyanatomethyl)-3-(5-methylsulfanyl-2-nitro-3-phenyl-phenyl)-4,5-dihydroisoxazole CAS Name: 5-(isothiocyanatomethyl)-3-[5-(methylthio)-2-nitro-3-phenylphenyl]-4,5-dihydroisoxazole IUPAC Name: 5-(isothiocyanatomethyl)-3-(5-methylsulfanyl-2-nitro-3-phenylphenyl)-4,5-dihydro-1,2-oxazole Traditional Name: 5-(isothiocyanatomethyl)-3-[5-(methylthio)-2-nitro-3-phenyl-phenyl]-2-isoxazoline Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C(=C1)C2=CC=CC=C2)[N+](=O)[O-])C3=NOC(C3)CN=C=S

Isomeric SMILES

CSC1=CC(=C(C(=C1)C2=CC=CC=C2)[N+](=O)[O-])C3=NOC(C3)CN=C=S

InChI

InChI=1S/C18H15N3O3S2/c1-26-14-8-15(12-5-3-2-4-6-12)18(21(22)23)16(9-14)17-7-13(24-20-17)10-19-11-25/h2-6,8-9,13H,7,10H2,1H3