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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzofuran-2-carboxamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]coumarilamide Formula: C21H19N3O2S3 MolecularWeight: 441.58946

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S3/c1-2-28-21-24-23-20(29-21)22-19(25)18-16(15-10-6-7-11-17(15)26-18)13-27-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,22,23,25)