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

Systemtic Name: 3,3-dimethyl-1-[[5-[(4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 1-[[4-allyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[[5-[(4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[5-[(4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 1-[[4-allyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2S/c1-6-11-22-17(12-24-15-9-7-14(2)8-10-15)20-21-18(22)25-13-16(23)19(3,4)5/h6-10H,1,11-13H2,2-5H3