N-[(4-cyclohexyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide

Systemtic Name: N-[(4-cyclohexyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide Openeye Name: N-[(4-cyclohexyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide CAS Name: N-[[4-cyclohexyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[(4-cyclohexyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide Traditional Name: N-[[4-cyclohexyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C25H28N4O3S MolecularWeight: 464.57982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3CCCCC3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3CCCCC3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3S/c1-32-21-14-12-19(13-15-21)24(31)26-16-23-27-28-25(29(23)20-10-6-3-7-11-20)33-17-22(30)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16-17H2,1H3,(H,26,31)