2-(4-ethylphenyl)-4-methyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide

Systemtic Name: 2-(4-ethylphenyl)-4-methyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxamide CAS Name: 2-(4-ethylphenyl)-4-methyl-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-5-thiazolecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxamide Formula: C22H20N4OS3 MolecularWeight: 452.6154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)C

InChI

InChI=1S/C22H20N4OS3/c1-3-15-9-11-17(12-10-15)20-23-14(2)18(29-20)19(27)24-21-25-26-22(30-21)28-13-16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,24,25,27)