3-chloranyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-ethoxy-4-propoxy-benzamide

Systemtic Name: 3-chloranyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-ethoxy-4-propoxy-benzamide Openeye Name: 3-chloro-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-ethoxy-4-propoxy-benzamide CAS Name: 3-chloro-N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-ethoxy-4-propoxybenzamide IUPAC Name: 3-chloro-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-ethoxy-4-propoxybenzamide Traditional Name: 3-chloro-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-ethoxy-4-propoxy-benzamide Formula: C22H21ClN4O3S2 MolecularWeight: 489.01014

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N)OCC

InChI

InChI=1S/C22H21ClN4O3S2/c1-3-9-30-19-17(23)10-16(11-18(19)29-4-2)20(28)25-21-26-27-22(32-21)31-13-15-7-5-14(12-24)6-8-15/h5-8,10-11H,3-4,9,13H2,1-2H3,(H,25,26,28)