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

Systemtic Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethyl]-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-benzyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethyl]-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-benzyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[(5-benzyl-4-homoveratryl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=NN=C2SCC(=O)N)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=NN=C2SCC(=O)N)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H24N4O3S/c1-27-17-9-8-16(12-18(17)28-2)10-11-25-20(13-15-6-4-3-5-7-15)23-24-21(25)29-14-19(22)26/h3-9,12H,10-11,13-14H2,1-2H3,(H2,22,26)