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

Systemtic Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C15H17ClN4OS MolecularWeight: 336.83968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN4OS/c1-20-13(10-5-7-11(16)8-6-10)18-19-15(20)22-12-4-2-3-9-17-14(12)21/h5-8,12H,2-4,9H2,1H3,(H,17,21)