5-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-phenyl-tetrazole CAS Name: 5-[[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-phenyltetrazole IUPAC Name: 5-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-phenyltetrazole Traditional Name: 5-[[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-phenyl-tetrazole Formula: C22H23N7S MolecularWeight: 417.52992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C22H23N7S/c1-4-10-17(11-5-1)21-23-22(25-29(21)19-14-8-3-9-15-19)30-16-20-24-26-27-28(20)18-12-6-2-7-13-18/h2-3,6-9,12-15,17H,1,4-5,10-11,16H2