5-[[4-(3,4-dichlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-morpholin-4-ylpropyl)pentanamide

Systemtic Name: 5-[[4-(3,4-dichlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-morpholin-4-ylpropyl)pentanamide Openeye Name: 5-[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-morpholinopropyl)pentanamide CAS Name: 5-[[4-(3,4-dichlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-[3-(4-morpholinyl)propyl]pentanamide IUPAC Name: 5-[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-morpholin-4-ylpropyl)pentanamide Traditional Name: 5-[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-morpholinopropyl)valeramide Formula: C27H33Cl2N5O2S MolecularWeight: 562.55422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)CCCCSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1CCCNC(=O)CCCCSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C27H33Cl2N5O2S/c28-23-11-10-22(20-24(23)29)34-25(19-21-7-2-1-3-8-21)31-32-27(34)37-18-5-4-9-26(35)30-12-6-13-33-14-16-36-17-15-33/h1-3,7-8,10-11,20H,4-6,9,12-19H2,(H,30,35)