4-cyclohexyl-3-(naphthalen-1-ylmethyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-(naphthalen-1-ylmethyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(1-naphthylmethyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(1-naphthalenylmethyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(naphthalen-1-ylmethyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(1-naphthylmethyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3CCCCO3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3CCCCO3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H31N3OS/c1-2-12-21(13-3-1)28-24(17-20-11-8-10-19-9-4-5-15-23(19)20)26-27-25(28)30-18-22-14-6-7-16-29-22/h4-5,8-11,15,21-22H,1-3,6-7,12-14,16-18H2