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

Systemtic Name: 3,4-diethoxy-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-diethoxy-benzamide CAS Name: 3,4-diethoxy-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-diethoxybenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3,4-diethoxy-benzamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)OCC

InChI

InChI=1S/C20H21N3O3S2/c1-3-25-16-11-10-15(12-17(16)26-4-2)18(24)21-19-22-23-20(28-19)27-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H,21,22,24)