1-[[5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[(1,3-diphenyl-4-pyrazolyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[(1,3-diphenylpyrazol-4-yl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C27H30N6OS MolecularWeight: 486.6317

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)CN5CCCCCC5=O

Isomeric SMILES

CCN1C(=NN=C1SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)CN5CCCCCC5=O

InChI

InChI=1S/C27H30N6OS/c1-2-32-24(19-31-17-11-5-10-16-25(31)34)28-29-27(32)35-20-22-18-33(23-14-8-4-9-15-23)30-26(22)21-12-6-3-7-13-21/h3-4,6-9,12-15,18H,2,5,10-11,16-17,19-20H2,1H3