4-ethyl-6-[5-methyl-4-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 4-ethyl-6-[5-methyl-4-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: 4-ethyl-3-hydroxy-6-[5-methyl-4-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 4-ethyl-3-hydroxy-6-[5-methyl-4-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-ethyl-3-hydroxy-6-[5-methyl-4-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-ethyl-3-hydroxy-6-[5-methyl-4-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C20H18N4O2S MolecularWeight: 378.44752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)C)C3=NN=C(S3)C4=CC=CC=C4)C(=O)C=C1O

Isomeric SMILES

CCC1=CC(=C2C(=C(NN2)C)C3=NN=C(S3)C4=CC=CC=C4)C(=O)C=C1O

InChI

InChI=1S/C20H18N4O2S/c1-3-12-9-14(16(26)10-15(12)25)18-17(11(2)21-22-18)20-24-23-19(27-20)13-7-5-4-6-8-13/h4-10,21-22,25H,3H2,1-2H3