1-[3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-methoxy-phenyl]ethanone Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C19H25N3O2S/c1-13(23)15-9-10-18(24-3)16(11-15)12-25-19-21-20-14(2)22(19)17-7-5-4-6-8-17/h9-11,17H,4-8,12H2,1-3H3