N,N-dicyclohexyl-2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N,N-dicyclohexyl-2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexyl-acetamide CAS Name: N,N-dicyclohexyl-2-[[5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide Traditional Name: 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)thio]-N,N-dicyclohexyl-acetamide Formula: C27H39N5O2S MolecularWeight: 497.69586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C27H39N5O2S/c33-25(32(23-12-6-2-7-13-23)24-14-8-3-9-15-24)21-35-27-29-28-26(30-16-18-34-19-17-30)31(27)20-22-10-4-1-5-11-22/h1,4-5,10-11,23-24H,2-3,6-9,12-21H2