N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[(1-morpholinocyclohexyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[[1-(4-morpholinyl)cyclohexyl]methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[(1-morpholinocyclohexyl)methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C21H29N5O2S MolecularWeight: 415.55226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)N4CCOCC4

InChI

InChI=1S/C21H29N5O2S/c27-19(18-6-4-17(5-7-18)14-29-20-23-16-24-25-20)22-15-21(8-2-1-3-9-21)26-10-12-28-13-11-26/h4-7,16H,1-3,8-15H2,(H,22,27)(H,23,24,25)