1-[[5-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[(7-ethyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[(7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[(7-ethyl-2-keto-chromen-4-yl)methylthio]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=N4)CN5CCCCCC5=O

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=N4)CN5CCCCCC5=O

InChI

InChI=1S/C26H27N5O3S/c1-2-18-10-11-20-19(15-25(33)34-21(20)14-18)17-35-26-29-28-23(31(26)22-8-5-6-12-27-22)16-30-13-7-3-4-9-24(30)32/h5-6,8,10-12,14-15H,2-4,7,9,13,16-17H2,1H3