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

Systemtic Name: 4-cyclohexyl-3-(naphthalen-1-ylmethyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(1-naphthylmethyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(1-naphthalenylmethyl)-5-(2-phenoxyethylthio)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(naphthalen-1-ylmethyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(1-naphthylmethyl)-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C27H29N3OS MolecularWeight: 443.60366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCCOC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCCOC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H29N3OS/c1-3-13-23(14-4-1)30-26(20-22-12-9-11-21-10-7-8-17-25(21)22)28-29-27(30)32-19-18-31-24-15-5-2-6-16-24/h2,5-12,15-17,23H,1,3-4,13-14,18-20H2