2-[[5-[(2-methoxy-4-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone

Systemtic Name: 2-[[5-[(2-methoxy-4-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[[5-[(2-methoxy-4-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[5-[(2-methoxy-4-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[[5-[(2-methoxy-4-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[5-[(2-methoxy-4-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)OC)OC

InChI

InChI=1S/C26H25N3O4S/c1-18-9-14-23(24(15-18)32-3)33-16-25-27-28-26(29(25)20-7-5-4-6-8-20)34-17-22(30)19-10-12-21(31-2)13-11-19/h4-15H,16-17H2,1-3H3