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

Systemtic Name: 5-chloranyl-3,6-dimethyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: 5-chloro-3,6-dimethyl-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2-benzofurancarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-chloro-3,6-dimethyl-coumarilamide Formula: C20H16ClN3O2S2 MolecularWeight: 429.94294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(OC2=C1)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C(OC2=C1)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)C)Cl

InChI

InChI=1S/C20H16ClN3O2S2/c1-11-8-16-14(9-15(11)21)12(2)17(26-16)18(25)22-19-23-24-20(28-19)27-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,22,23,25)