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

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-methyl-coumarilamide Formula: C20H14N4O2S2 MolecularWeight: 406.48076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H14N4O2S2/c1-12-15-4-2-3-5-16(15)26-17(12)18(25)22-19-23-24-20(28-19)27-11-14-8-6-13(10-21)7-9-14/h2-9H,11H2,1H3,(H,22,23,25)