3-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C13H16N4O2S MolecularWeight: 292.35674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NN=CN2CC3=CC=CO3

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NN=CN2CC3=CC=CO3

InChI

InChI=1S/C13H16N4O2S/c18-12-11(5-1-2-6-14-12)20-13-16-15-9-17(13)8-10-4-3-7-19-10/h3-4,7,9,11H,1-2,5-6,8H2,(H,14,18)