(6E)-4-ethyl-6-[4-(4-methyl-1,3-thiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-phenylmethoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-4-ethyl-6-[4-(4-methyl-1,3-thiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-phenylmethoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-3-benzyloxy-4-ethyl-6-[4-(4-methylthiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-4-ethyl-6-[4-(4-methyl-2-thiazolyl)-1,2-dihydropyrazol-3-ylidene]-3-phenylmethoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-4-ethyl-6-[4-(4-methyl-1,3-thiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-phenylmethoxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-3-benzoxy-4-ethyl-6-[4-(4-methylthiazol-2-yl)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C22H21N3O2S MolecularWeight: 391.48604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=CNN2)C3=NC(=CS3)C)C(=O)C=C1OCC4=CC=CC=C4

Isomeric SMILES

CCC1=C/C(=C\2/C(=CNN2)C3=NC(=CS3)C)/C(=O)C=C1OCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-3-16-9-17(21-18(11-23-25-21)22-24-14(2)13-28-22)19(26)10-20(16)27-12-15-7-5-4-6-8-15/h4-11,13,23,25H,3,12H2,1-2H3/b21-17+