N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-isopropyl-pyrazole-3-carboxamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-isopropyl-pyrazole-3-carboxamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC(=N1)C(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43

Isomeric SMILES

CC(C)N1C=CC(=N1)C(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43

InChI

InChI=1S/C18H18N4OS/c1-11(2)22-10-9-14(21-22)17(23)20-18-19-16-13-6-4-3-5-12(13)7-8-15(16)24-18/h3-6,9-11H,7-8H2,1-2H3,(H,19,20,23)