2-[[4-methyl-5-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-methyl-5-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-methyl-5-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-methyl-5-[3-(methylthio)-6,7-dihydro-2-benzothiophen-1-yl]-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-methyl-5-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-methyl-5-[3-(methylthio)-6,7-dihydroisobenzothiophen-1-yl]-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C20H20N4OS3 MolecularWeight: 428.594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=C4CCC=CC4=C(S3)SC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=C4CCC=CC4=C(S3)SC

InChI

InChI=1S/C20H20N4OS3/c1-24-18(17-14-10-6-7-11-15(14)19(26-2)28-17)22-23-20(24)27-12-16(25)21-13-8-4-3-5-9-13/h3-5,7-9,11H,6,10,12H2,1-2H3,(H,21,25)