(4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-(4-methoxyphenyl)pyrazol-3-one

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-(4-methoxyphenyl)pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-(4-methoxyphenyl)pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-(4-methoxyphenyl)-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-(4-methoxyphenyl)pyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-(4-methoxyphenyl)-2-pyrazolin-3-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCO/C(=C\1/C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC)/C

InChI

InChI=1S/C21H19N3O3S/c1-4-27-13(2)18-19(14-9-11-15(26-3)12-10-14)23-24(20(18)25)21-22-16-7-5-6-8-17(16)28-21/h5-12H,4H2,1-3H3/b18-13-