3-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide

Systemtic Name: 3-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide Openeye Name: 3-methyl-5-phenyl-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]isoxazole-4-carboxamide CAS Name: 3-methyl-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-phenyl-4-isoxazolecarboxamide IUPAC Name: 3-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide Traditional Name: 3-methyl-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-phenyl-isoxazole-4-carboxamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=C(ON=C3C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=C(ON=C3C)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S2/c1-13-8-10-15(11-9-13)12-28-21-24-23-20(29-21)22-19(26)17-14(2)25-27-18(17)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,22,23,26)