N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C21H17N3O3S3 MolecularWeight: 455.57298

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(O1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CSC(=C(O1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3S3/c25-16(14-7-3-1-4-8-14)13-29-21-24-23-20(30-21)22-19(26)17-18(28-12-11-27-17)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,22,23,26)