3-(cyclohexylmethylsulfanyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(cyclohexylmethylsulfanyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(cyclohexylmethylsulfanyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-(cyclohexylmethylthio)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(cyclohexylmethylsulfanyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(cyclohexylmethylthio)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C22H25N3OS MolecularWeight: 379.5184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4CCCCC4

InChI

InChI=1S/C22H25N3OS/c1-26-20-14-12-18(13-15-20)21-23-24-22(25(21)19-10-6-3-7-11-19)27-16-17-8-4-2-5-9-17/h3,6-7,10-15,17H,2,4-5,8-9,16H2,1H3