2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)ethanamide

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)ethanamide Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)acetamide Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC(=O)N(N3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC(=O)N(N3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O3S2/c1-2-27-14-8-9-15-16(10-14)29-20(21-15)28-12-18(25)22-17-11-19(26)24(23-17)13-6-4-3-5-7-13/h3-11,23H,2,12H2,1H3,(H,22,25)