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

Systemtic Name: 3-[[5-[(4-chloranylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C16H19ClN4O2S MolecularWeight: 366.86566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2CCCCNC2=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SC2CCCCNC2=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN4O2S/c1-21-14(10-23-12-7-5-11(17)6-8-12)19-20-16(21)24-13-4-2-3-9-18-15(13)22/h5-8,13H,2-4,9-10H2,1H3,(H,18,22)