N-(1,3-benzothiazol-2-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)C(=O)NCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)C(=O)NCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H16N4O3S/c25-20(21-11-18-23-14-3-1-2-4-17(14)28-18)13-10-22-24-19(13)12-5-6-15-16(9-12)27-8-7-26-15/h1-6,9-10H,7-8,11H2,(H,21,25)(H,22,24)