(6E)-6-[4-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-4-propyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[4-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-4-propyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[4-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-4-propyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[4-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-4-propyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[4-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-4-propylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[4-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolin-3-ylidene]-3-hydroxy-4-propyl-cyclohexa-2,4-dien-1-one Formula: C20H19N3O2S MolecularWeight: 365.44876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=C(NN2)C)C3=NC4=CC=CC=C4S3)C(=O)C=C1O

Isomeric SMILES

CCCC1=C/C(=C\2/C(=C(NN2)C)C3=NC4=CC=CC=C4S3)/C(=O)C=C1O

InChI

InChI=1S/C20H19N3O2S/c1-3-6-12-9-13(16(25)10-15(12)24)19-18(11(2)22-23-19)20-21-14-7-4-5-8-17(14)26-20/h4-5,7-10,22-24H,3,6H2,1-2H3/b19-13+