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

Systemtic Name: 2-[[4-cyclohexyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-cyclohexyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-cyclohexyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-cyclohexyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-cyclohexyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(N2C3CCCCC3)SCC(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(N2C3CCCCC3)SCC(=O)N4CCCC4

InChI

InChI=1S/C22H30N4O2S/c1-17-8-7-11-19(14-17)28-15-20-23-24-22(26(20)18-9-3-2-4-10-18)29-16-21(27)25-12-5-6-13-25/h7-8,11,14,18H,2-6,9-10,12-13,15-16H2,1H3