2-[[4-phenethyl-5-(3,4,5-triethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-phenethyl-5-(3,4,5-triethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-phenethyl-5-(3,4,5-triethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-phenethyl-5-(3,4,5-triethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-phenethyl-5-(3,4,5-triethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-phenethyl-5-(3,4,5-triethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C30H34N4O4S MolecularWeight: 546.68036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C30H34N4O4S/c1-4-36-25-19-23(20-26(37-5-2)28(25)38-6-3)29-32-33-30(34(29)18-17-22-13-9-7-10-14-22)39-21-27(35)31-24-15-11-8-12-16-24/h7-16,19-20H,4-6,17-18,21H2,1-3H3,(H,31,35)