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

Systemtic Name: 3-methyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide Openeye Name: 3-methyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-5-phenyl-isoxazole-4-carboxamide CAS Name: 3-methyl-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-5-phenyl-4-isoxazolecarboxamide IUPAC Name: 3-methyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide Traditional Name: 3-methyl-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-5-phenyl-isoxazole-4-carboxamide Formula: C21H16N4O3S2 MolecularWeight: 436.50674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NOC(=C1C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O3S2/c1-13-17(18(28-25-13)15-10-6-3-7-11-15)19(27)22-20-23-24-21(30-20)29-12-16(26)14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,22,23,27)