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

Systemtic Name: 2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)SCC(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)SCC(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O2S/c1-27-18-12-6-5-11-17(18)20-22-23-21(25(20)16-9-3-2-4-10-16)28-15-19(26)24-13-7-8-14-24/h5-6,11-12,16H,2-4,7-10,13-15H2,1H3