4-cyclohexyl-3-methylsulfanyl-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-methylsulfanyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-cyclohexyl-5-methylsulfanyl-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(methylthio)-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-cyclohexyl-5-methylsulfanyl-1,2,4-triazole Traditional Name: 3-benzyl-4-cyclohexyl-5-(methylthio)-1,2,4-triazole Formula: C16H21N3S MolecularWeight: 287.42304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCCC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=NN=C(N1C2CCCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H21N3S/c1-20-16-18-17-15(12-13-8-4-2-5-9-13)19(16)14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3