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

Systemtic Name: 2-[[5-[(2-methoxy-4-methyl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-allyl-5-[(2-methoxy-4-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(2-methoxy-4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(2-methoxy-4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-allyl-5-[(2-methoxy-4-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H23N3O3S/c1-4-12-25-21(14-28-19-11-10-16(2)13-20(19)27-3)23-24-22(25)29-15-18(26)17-8-6-5-7-9-17/h4-11,13H,1,12,14-15H2,2-3H3