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

Systemtic Name: 5-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyl-tetrazole CAS Name: 5-[[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-1-phenyltetrazole IUPAC Name: 5-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyltetrazole Traditional Name: 5-[[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-1-phenyl-tetrazole Formula: C20H21N7OS MolecularWeight: 407.49204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=NN=NN3C4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=NN=NN3C4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C20H21N7OS/c1-3-8-15(9-4-1)26-19(17-12-7-13-28-17)22-23-20(26)29-14-18-21-24-25-27(18)16-10-5-2-6-11-16/h2,5-7,10-13,15H,1,3-4,8-9,14H2