4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,2,3-triazole

Systemtic Name: 4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,2,3-triazole Openeye Name: 4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-triazole CAS Name: 4-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-phenyltriazole IUPAC Name: 4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyltriazole Traditional Name: 4-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-phenyl-triazole Formula: C18H22N6S MolecularWeight: 354.47248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC2=NC(=NN2)SCC3=NN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)CCC2=NC(=NN2)SCC3=NN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H22N6S/c1-2-8-16(9-3-1)24-19-12-15(23-24)13-25-18-20-17(21-22-18)11-10-14-6-4-5-7-14/h1-3,8-9,12,14H,4-7,10-11,13H2,(H,20,21,22)