2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethylbenzofuran-3-yl)acetamide CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-2-(6,7-dimethylbenzofuran-3-yl)acetamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)C

InChI

InChI=1S/C21H19N3O2S2/c1-13-8-9-17-16(11-26-19(17)14(13)2)10-18(25)22-20-23-24-21(28-20)27-12-15-6-4-3-5-7-15/h3-9,11H,10,12H2,1-2H3,(H,22,23,25)