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

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(phenoxymethyl)benzofuran-2-carboxamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-(phenoxymethyl)-2-benzofurancarboxamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-(phenoxymethyl)coumarilamide Formula: C26H18N4O3S2 MolecularWeight: 498.57612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=C(OC3=CC=CC=C32)C(=O)NC4=NN=C(S4)SCC5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)OCC2=C(OC3=CC=CC=C32)C(=O)NC4=NN=C(S4)SCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H18N4O3S2/c27-14-17-10-12-18(13-11-17)16-34-26-30-29-25(35-26)28-24(31)23-21(15-32-19-6-2-1-3-7-19)20-8-4-5-9-22(20)33-23/h1-13H,15-16H2,(H,28,29,31)