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

Systemtic Name: 1-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C(C)(C)C)COC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C(C)(C)C)COC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O2S/c1-5-20-15(11-22-13-9-7-6-8-10-13)18-19-16(20)23-12-14(21)17(2,3)4/h6-10H,5,11-12H2,1-4H3