2-[[4-[2-(3,4-dimethoxyphenyl)ethyl]-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethyl]-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-benzyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethyl]-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-benzyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[(5-benzyl-4-homoveratryl-1,2,4-triazol-3-yl)thio]-N-phenyl-acetamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=NN=C2SCC(=O)NC3=CC=CC=C3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=NN=C2SCC(=O)NC3=CC=CC=C3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C27H28N4O3S/c1-33-23-14-13-21(17-24(23)34-2)15-16-31-25(18-20-9-5-3-6-10-20)29-30-27(31)35-19-26(32)28-22-11-7-4-8-12-22/h3-14,17H,15-16,18-19H2,1-2H3,(H,28,32)