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

Systemtic Name: 1-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2S/c1-6-21-16(11-23-14-9-7-13(2)8-10-14)19-20-17(21)24-12-15(22)18(3,4)5/h7-10H,6,11-12H2,1-5H3