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

Systemtic Name: 3-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C16H19ClN4OS MolecularWeight: 350.86626

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2CCCCNC2=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SC2CCCCNC2=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN4OS/c1-2-21-14(11-6-8-12(17)9-7-11)19-20-16(21)23-13-5-3-4-10-18-15(13)22/h6-9,13H,2-5,10H2,1H3,(H,18,22)