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

Systemtic Name: 5-bromanyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-benzofuran-2-carboxamide CAS Name: 5-bromo-N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-methyl-2-benzofurancarboxamide IUPAC Name: 5-bromo-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-methyl-coumarilamide Formula: C20H13BrN4O2S2 MolecularWeight: 485.37682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H13BrN4O2S2/c1-11-15-8-14(21)6-7-16(15)27-17(11)18(26)23-19-24-25-20(29-19)28-10-13-4-2-12(9-22)3-5-13/h2-8H,10H2,1H3,(H,23,24,26)