N5-benzo[e][1,3]benzothiazol-2-yl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

Systemtic Name: N5-benzo[e][1,3]benzothiazol-2-yl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: N5-benzo[e][1,3]benzothiazol-2-yl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: N5-(2-benzo[e][1,3]benzothiazolyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: 5-N-benzo[e][1,3]benzothiazol-2-yl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-1-phenyl-2-pyrazoline-3,5-dicarboxamide Formula: C22H17N5O2S MolecularWeight: 415.46768

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1C(N(N=C1C(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C22H17N5O2S/c23-20(28)17-12-16(26-27(17)14-7-2-1-3-8-14)21(29)25-22-24-19-15-9-5-4-6-13(15)10-11-18(19)30-22/h1-11,17H,12H2,(H2,23,28)(H,24,25,29)