3-methyl-N-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(5-cinnamylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-benzofuran-2-carboxamide CAS Name: 3-methyl-N-[5-(3-phenylprop-2-enylthio)-1,3,4-thiadiazol-2-yl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[5-(cinnamylthio)-1,3,4-thiadiazol-2-yl]-3-methyl-coumarilamide Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC3=NN=C(S3)SCC=CC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC3=NN=C(S3)SCC=CC4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S2/c1-14-16-11-5-6-12-17(16)26-18(14)19(25)22-20-23-24-21(28-20)27-13-7-10-15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,22,23,25)