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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)C)C3=NC4=CC=CC=C4S3)C(=O)C=C1OC

Isomeric SMILES

CCC1=C/C(=C\2/C(=C(NN2)C)C3=NC4=CC=CC=C4S3)/C(=O)C=C1OC

InChI

InChI=1S/C20H19N3O2S/c1-4-12-9-13(15(24)10-16(12)25-3)19-18(11(2)22-23-19)20-21-14-7-5-6-8-17(14)26-20/h5-10,22-23H,4H2,1-3H3/b19-13+