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

Systemtic Name: 2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H30N4OS/c30-24(28-15-6-7-16-28)18-31-25-27-26-23(29(25)21-12-2-1-3-13-21)17-20-11-8-10-19-9-4-5-14-22(19)20/h4-5,8-11,14,21H,1-3,6-7,12-13,15-18H2