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N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yl-quinoline-4-carboxamide

N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yl-quinoline-4-carboxamide

Systemtic Name:N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yl-quinoline-4-carboxamide
Openeye Name:N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-isopropyl-quinoline-4-carboxamide
CAS Name:N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2-propan-2-yl-4-quinolinecarboxamide
IUPAC Name:N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylquinoline-4-carboxamide
Traditional Name:N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-2-isopropyl-cinchoninamide
Formula: C22H20N4OS2
MolecularWeight: 420.5504
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4


Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4


InChI

InChI=1S/C22H20N4OS2/c1-14(2)19-12-17(16-10-6-7-11-18(16)23-19)20(27)24-21-25-26-22(29-21)28-13-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3,(H,24,25,27)


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