1-[3-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-ethoxy-phenyl]ethanone Formula: C30H33N3O2S MolecularWeight: 499.66692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H33N3O2S/c1-3-35-28-17-16-23(21(2)34)18-25(28)20-36-30-32-31-29(33(30)26-13-5-4-6-14-26)19-24-12-9-11-22-10-7-8-15-27(22)24/h7-12,15-18,26H,3-6,13-14,19-20H2,1-2H3