3-[2-(2-chloranylphenoxy)ethylsulfanyl]-4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[2-(2-chloranylphenoxy)ethylsulfanyl]-4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-[2-(2-chlorophenoxy)ethylsulfanyl]-4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazole CAS Name: 3-[2-(2-chlorophenoxy)ethylthio]-4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazole IUPAC Name: 3-[2-(2-chlorophenoxy)ethylsulfanyl]-4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-[2-(2-chlorophenoxy)ethylthio]-4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazole Formula: C27H28ClN3OS MolecularWeight: 478.04872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCCOC3=CC=CC=C3Cl)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCCOC3=CC=CC=C3Cl)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H28ClN3OS/c28-24-15-6-7-16-25(24)32-17-18-33-27-30-29-26(31(27)22-12-2-1-3-13-22)19-21-11-8-10-20-9-4-5-14-23(20)21/h4-11,14-16,22H,1-3,12-13,17-19H2