4-[4-(2-ethoxyphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-(2-ethoxyphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-(2-ethoxyphenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-(2-ethoxyphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-(2-ethoxyphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-(4-o-phenetyl-5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=C3C=CC(=O)C=C3)NNC2=S

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=C3C=CC(=O)C=C3)NNC2=S

InChI

InChI=1S/C16H15N3O2S/c1-2-21-14-6-4-3-5-13(14)19-15(17-18-16(19)22)11-7-9-12(20)10-8-11/h3-10,17H,2H2,1H3,(H,18,22)