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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-yl-ethanamide Openeye Name: 2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylbutyl)acetamide CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-pentan-2-ylacetamide IUPAC Name: 2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide Traditional Name: 2-[(5-benzyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]-N-(1-methylbutyl)acetamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OCC)CC3=CC=CC=C3

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OCC)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N4O2S/c1-4-9-18(3)25-23(29)17-31-24-27-26-22(16-19-10-7-6-8-11-19)28(24)20-12-14-21(15-13-20)30-5-2/h6-8,10-15,18H,4-5,9,16-17H2,1-3H3,(H,25,29)