1-[[5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-4-(3-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[[4-(1-pyrazolyl)phenyl]methylthio]-4-(3-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[(4-pyrazol-1-ylbenzyl)thio]-4-(3-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C24H25N7OS MolecularWeight: 459.5666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CN=CC=C3)SCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CN=CC=C3)SCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C24H25N7OS/c32-23-7-2-1-3-14-29(23)17-22-27-28-24(31(22)21-6-4-12-25-16-21)33-18-19-8-10-20(11-9-19)30-15-5-13-26-30/h4-6,8-13,15-16H,1-3,7,14,17-18H2