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

Systemtic Name: 3,4,5-triethoxy-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxy-benzamide CAS Name: 3,4,5-triethoxy-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4S2/c1-4-27-17-12-16(13-18(28-5-2)19(17)29-6-3)20(26)23-21-24-25-22(31-21)30-14-15-10-8-7-9-11-15/h7-13H,4-6,14H2,1-3H3,(H,23,24,26)