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

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2-methoxyphenyl)ethanone IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone Traditional Name: 2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-1-(2-methoxyphenyl)ethanone Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1C(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C22H25N3O2S2/c1-27-20-12-6-5-11-18(20)19(26)15-29-22-24-23-21(14-17-10-7-13-28-17)25(22)16-8-3-2-4-9-16/h5-7,10-13,16H,2-4,8-9,14-15H2,1H3