5-azanylidene-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]thiolan-3-one

Systemtic Name: 5-azanylidene-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]thiolan-3-one Openeye Name: 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-2-[(4-isobutoxy-3-methoxy-phenyl)methylene]tetrahydrothiophen-3-one CAS Name: 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-2-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-3-thiolanone IUPAC Name: 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-2-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]thiolan-3-one Traditional Name: 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-2-(4-isobutoxy-3-methoxy-benzylidene)tetrahydrothiophen-3-one Formula: C20H23N3O3S2 MolecularWeight: 417.54492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)C2C(=O)C(=CC3=CC(=C(C=C3)OCC(C)C)OC)SC2=N

Isomeric SMILES

CCC1=NN=C(S1)C2C(=O)C(=CC3=CC(=C(C=C3)OCC(C)C)OC)SC2=N

InChI

InChI=1S/C20H23N3O3S2/c1-5-16-22-23-20(28-16)17-18(24)15(27-19(17)21)9-12-6-7-13(14(8-12)25-4)26-10-11(2)3/h6-9,11,17,21H,5,10H2,1-4H3