2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone

Systemtic Name: 2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone Openeye Name: 2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methyl-2-thienyl)ethanone CAS Name: 2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(5-methyl-2-thiophenyl)ethanone IUPAC Name: 2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone Traditional Name: 2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(5-methyl-2-thienyl)ethanone Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H25N3O2S2/c1-15-12-13-20(29-15)18(26)14-28-22-24-23-21(17-10-6-7-11-19(17)27-2)25(22)16-8-4-3-5-9-16/h6-7,10-13,16H,3-5,8-9,14H2,1-2H3