3,5,7-trimethyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 3,5,7-trimethyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3,5,7-trimethyl-benzofuran-2-carboxamide CAS Name: 3,5,7-trimethyl-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2-benzofurancarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3,5,7-trimethyl-coumarilamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(O2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(O2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)C)C

InChI

InChI=1S/C21H19N3O2S2/c1-12-9-13(2)17-16(10-12)14(3)18(26-17)19(25)22-20-23-24-21(28-20)27-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,22,23,25)