3-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[4-(2-furylmethyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[4-(2-furanylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[4-(2-furfuryl)-5-isopropyl-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC2=CC=CO2)SC3CCCCNC3=O

Isomeric SMILES

CC(C)C1=NN=C(N1CC2=CC=CO2)SC3CCCCNC3=O

InChI

InChI=1S/C16H22N4O2S/c1-11(2)14-18-19-16(20(14)10-12-6-5-9-22-12)23-13-7-3-4-8-17-15(13)21/h5-6,9,11,13H,3-4,7-8,10H2,1-2H3,(H,17,21)