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

Systemtic Name: 3-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[5-cyclopropyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[5-cyclopropyl-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-cyclopropyl-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NN=C(N2CC3=CC=CO3)C4CC4

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NN=C(N2CC3=CC=CO3)C4CC4

InChI

InChI=1S/C16H20N4O2S/c21-15-13(5-1-2-8-17-15)23-16-19-18-14(11-6-7-11)20(16)10-12-4-3-9-22-12/h3-4,9,11,13H,1-2,5-8,10H2,(H,17,21)