(6E)-5-methyl-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)-5-methyl-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-5-methyl-6-[4-(4-methylthiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-5-methyl-6-[4-(4-methyl-2-thiazolyl)-1,2-dihydropyrazol-3-ylidene]-3-phenylmethoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-5-methyl-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-5-methyl-6-[4-(4-methylthiazol-2-yl)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=O)C1=C2C(=CNN2)C3=NC(=CS3)C)OCC4=CC=CC=C4

Isomeric SMILES

CC\1=CC(=CC(=O)/C1=C/2\C(=CNN2)C3=NC(=CS3)C)OCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S/c1-13-8-16(26-11-15-6-4-3-5-7-15)9-18(25)19(13)20-17(10-22-24-20)21-23-14(2)12-27-21/h3-10,12,22,24H,11H2,1-2H3/b20-19+