3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-(4-methoxyphenyl)-4-methyl-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:

CN1C(=NN=C1SC2CCCCNC2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SC2CCCCNC2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H20N4O2S/c1-20-14(11-6-8-12(22-2)9-7-11)18-19-16(20)23-13-5-3-4-10-17-15(13)21/h6-9,13H,3-5,10H2,1-2H3,(H,17,21)