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

Systemtic Name: 3,3-dimethyl-1-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 1-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 1-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)COC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)COC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O2S/c1-5-11-21-16(12-23-14-9-7-6-8-10-14)19-20-17(21)24-13-15(22)18(2,3)4/h5-10H,1,11-13H2,2-4H3