3-(phenoxymethyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-(phenoxymethyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)benzofuran-2-carboxamide CAS Name: 3-(phenoxymethyl)-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-2-benzofurancarboxamide IUPAC Name: 3-(phenoxymethyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-3-(phenoxymethyl)coumarilamide Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3S2/c1-2-12-28-21-24-23-20(29-21)22-19(25)18-16(13-26-14-8-4-3-5-9-14)15-10-6-7-11-17(15)27-18/h2-11H,1,12-13H2,(H,22,23,25)