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

Systemtic Name: 2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[[5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-3-ylacetamide Traditional Name: 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)thio]-N-(1-ethylpropyl)acetamide Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C20H29N5O2S/c1-3-17(4-2)21-18(26)15-28-20-23-22-19(24-10-12-27-13-11-24)25(20)14-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,21,26)