3-(4-methoxyphenyl)-5-[(6-methylsulfonylbenzotriazol-1-yl)oxymethyl]-1,2-oxazole

Systemtic Name: 3-(4-methoxyphenyl)-5-[(6-methylsulfonylbenzotriazol-1-yl)oxymethyl]-1,2-oxazole Openeye Name: 3-(4-methoxyphenyl)-5-[(6-methylsulfonylbenzotriazol-1-yl)oxymethyl]isoxazole CAS Name: 3-(4-methoxyphenyl)-5-[(6-methylsulfonyl-1-benzotriazolyl)oxymethyl]isoxazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(6-methylsulfonylbenzotriazol-1-yl)oxymethyl]-1,2-oxazole Traditional Name: 5-[(6-mesylbenzotriazol-1-yl)oxymethyl]-3-(4-methoxyphenyl)isoxazole Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)CON3C4=C(C=CC(=C4)S(=O)(=O)C)N=N3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)CON3C4=C(C=CC(=C4)S(=O)(=O)C)N=N3

InChI

InChI=1S/C18H16N4O5S/c1-25-13-5-3-12(4-6-13)17-9-14(27-20-17)11-26-22-18-10-15(28(2,23)24)7-8-16(18)19-21-22/h3-10H,11H2,1-2H3