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

Systemtic Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-phenylethanone IUPAC Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-phenyl-ethanone Formula: C22H23N3OS MolecularWeight: 377.50252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS/c26-20(17-10-4-1-5-11-17)16-27-22-24-23-21(18-12-6-2-7-13-18)25(22)19-14-8-3-9-15-19/h1,3-5,8-11,14-15,18H,2,6-7,12-13,16H2