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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=NN=C(S3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=NN=C(S3)SCC(=O)C4=CC=CC=C4

InChI

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