2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole

Systemtic Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzoxazole Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC2=NC(=NN2)SCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCC(C1)CC2=NC(=NN2)SCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C16H18N4OS/c1-2-6-11(5-1)9-14-18-16(20-19-14)22-10-15-17-12-7-3-4-8-13(12)21-15/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,18,19,20)