2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)ethanone CAS Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone IUPAC Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone Traditional Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)ethanone Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CS4)C

InChI

InChI=1S/C23H21N3O2S2/c1-16-10-11-19(13-17(16)2)28-14-22-24-25-23(26(22)18-7-4-3-5-8-18)30-15-20(27)21-9-6-12-29-21/h3-13H,14-15H2,1-2H3