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

Systemtic Name: 3-(cyclohexylmethylsulfanyl)-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-(cyclohexylmethylsulfanyl)-5-phenyl-1H-1,2,4-triazole CAS Name: 3-(cyclohexylmethylthio)-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-(cyclohexylmethylsulfanyl)-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-(cyclohexylmethylthio)-5-phenyl-1H-1,2,4-triazole Formula: C15H19N3S MolecularWeight: 273.39646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H19N3S/c1-3-7-12(8-4-1)11-19-15-16-14(17-18-15)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,16,17,18)