3,3-dimethyl-1-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=NN2)SCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=NN2)SCC(=O)C(C)(C)C

InChI

InChI=1S/C16H21N3O2S/c1-11-5-7-12(8-6-11)21-9-14-17-15(19-18-14)22-10-13(20)16(2,3)4/h5-8H,9-10H2,1-4H3,(H,17,18,19)