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

Systemtic Name: 4-(3-methylphenoxy)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenoxy)butanamide CAS Name: 4-(3-methylphenoxy)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenoxy)butanamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-(3-methylphenoxy)butyramide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S2/c1-15-7-5-10-17(13-15)25-12-6-11-18(24)21-19-22-23-20(27-19)26-14-16-8-3-2-4-9-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,21,22,24)