3-ethylsulfanyl-5-(4-methoxyphenyl)-4-[(1S,2S)-2-methylcyclohexyl]-1,2,4-triazole

Systemtic Name: 3-ethylsulfanyl-5-(4-methoxyphenyl)-4-[(1S,2S)-2-methylcyclohexyl]-1,2,4-triazole Openeye Name: 3-ethylsulfanyl-5-(4-methoxyphenyl)-4-[(1S,2S)-2-methylcyclohexyl]-1,2,4-triazole CAS Name: 3-(ethylthio)-5-(4-methoxyphenyl)-4-[(1S,2S)-2-methylcyclohexyl]-1,2,4-triazole IUPAC Name: 3-ethylsulfanyl-5-(4-methoxyphenyl)-4-[(1S,2S)-2-methylcyclohexyl]-1,2,4-triazole Traditional Name: 3-(ethylthio)-5-(4-methoxyphenyl)-4-[(1S,2S)-2-methylcyclohexyl]-1,2,4-triazole Formula: C18H25N3OS MolecularWeight: 331.4756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2CCCCC2C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCSC1=NN=C(N1[C@H]2CCCC[C@@H]2C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H25N3OS/c1-4-23-18-20-19-17(14-9-11-15(22-3)12-10-14)21(18)16-8-6-5-7-13(16)2/h9-13,16H,4-8H2,1-3H3/t13-,16-/m0/s1