3-(diethylamino)-6-[[[3-[(2,6-dimethylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 3-(diethylamino)-6-[[[3-[(2,6-dimethylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 3-(diethylamino)-6-[[[3-[(2,6-dimethylphenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 3-(diethylamino)-6-[[[3-[(2,6-dimethylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 3-(diethylamino)-6-[[[3-[(2,6-dimethylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 3-(diethylamino)-6-[[[3-[(2,6-dimethylphenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C22H27N5O2S MolecularWeight: 425.54708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=O)C(=CNN2C(=NNC2=S)COC3=C(C=CC=C3C)C)C=C1

Isomeric SMILES

CCN(CC)C1=CC(=O)C(=CNN2C(=NNC2=S)COC3=C(C=CC=C3C)C)C=C1

InChI

InChI=1S/C22H27N5O2S/c1-5-26(6-2)18-11-10-17(19(28)12-18)13-23-27-20(24-25-22(27)30)14-29-21-15(3)8-7-9-16(21)4/h7-13,23H,5-6,14H2,1-4H3,(H,25,30)