5-(4-methoxyphenyl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(4-methoxyphenyl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-methoxyphenyl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)isoxazole-3-carboxamide CAS Name: 5-(4-methoxyphenyl)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-methoxyphenyl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-methoxyphenyl)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]isoxazole-3-carboxamide Formula: C21H16N4O4S2 MolecularWeight: 452.50614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=NN=C(S3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=NN=C(S3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O4S2/c1-28-15-9-7-14(8-10-15)18-11-16(25-29-18)19(27)22-20-23-24-21(31-20)30-12-17(26)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,22,23,27)