N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]heptanamide

Systemtic Name: N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]heptanamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)heptanamide CAS Name: N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]heptanamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)heptanamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]enanthamide Formula: C16H21N3OS2 MolecularWeight: 335.48744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=NN=C(S1)SCC2=CC=CC=C2

Isomeric SMILES

CCCCCCC(=O)NC1=NN=C(S1)SCC2=CC=CC=C2

InChI

InChI=1S/C16H21N3OS2/c1-2-3-4-8-11-14(20)17-15-18-19-16(22-15)21-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,17,18,20)