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

Systemtic Name: 2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[(4-isopropylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[(4-isopropylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2C)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-15(2)16-9-11-18(12-10-16)26-13-20-22-23-21(24(20)3)27-14-19(25)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3