3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[[3-(4-methoxyphenyl)isoxazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(4-methoxyphenyl)-5-isoxazolyl]methylthio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[3-(4-methoxyphenyl)isoxazol-5-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C20H18N4O3S MolecularWeight: 394.44692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)CSC3=NNC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)CSC3=NNC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O3S/c1-26-16-9-7-15(8-10-16)18-11-17(27-23-18)13-28-20-22-21-19(25)24(20)12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,21,25)