2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-methoxyphenyl)ethanone Formula: C18H23N3O2S MolecularWeight: 345.45912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H23N3O2S/c1-13-19-20-18(21(13)15-6-4-3-5-7-15)24-12-17(22)14-8-10-16(23-2)11-9-14/h8-11,15H,3-7,12H2,1-2H3