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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H25ClN4O3S MolecularWeight: 460.9769

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2OC)Cl)OC)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2OC)Cl)OC)CCC3=CC=CC=C3

InChI

InChI=1S/C22H25ClN4O3S/c1-4-27-20(11-10-15-8-6-5-7-9-15)25-26-22(27)31-14-21(28)24-17-13-18(29-2)16(23)12-19(17)30-3/h5-9,12-13H,4,10-11,14H2,1-3H3,(H,24,28)